6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C91H137N15O3 — CID 157411287

IUPAC6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCCCCc1c(C(C)(C)C)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.CCCCCCCc1c(C(C)(C)CC)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.CCCCc1c(C(C)(C)C)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C32H49N5O.C31H47N5O.C28H41N5O/c1-10-14-15-16-17-18-25-29(32(8,9)11-2)34-30-28(27(22(5)6)35-37(30)31(25)38)33-26-20-19-24(21-23(26)7)36(12-3)13-4;1-10-13-14-15-16-17-24-28(31(7,8)9)33-29-27(26(21(4)5)34-36(29)30(24)37)32-25-19-18-23(20-22(25)6)35(11-2)12-3;1-10-13-14-21-25(28(7,8)9)30-26-24(23(18(4)5)31-33(26)27(21)34)29-22-16-15-20(17-19(22)6)32(11-2)12-3/h19-22H,10-18H2,1-9H3;18-21H,10-17H2,1-9H3;15-18H,10-14H2,1-9H3/b33-28-;32-27-;29-24-
InChIKeyBOHXJDBUDUSVOK-UYNZTFMISA-N
MW1489.20 g/mol
LogP20.83
Rot. Bonds32

About 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 157411287) has the molecular formula C91H137N15O3 and a molecular weight of 1489.20 g/mol. Its IUPAC name is 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID157411287
Molecular FormulaC91H137N15O3
Molecular Weight1489.20 g/mol
Exact Mass1488.10
IUPAC Name6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCCCCCc1c(C(C)(C)C)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.CCCCCCCc1c(C(C)(C)CC)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.CCCCc1c(C(C)(C)C)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C32H49N5O.C31H47N5O.C28H41N5O/c1-10-14-15-16-17-18-25-29(32(8,9)11-2)34-30-28(27(22(5)6)35-37(30)31(25)38)33-26-20-19-24(21-23(26)7)36(12-3)13-4;1-10-13-14-15-16-17-24-28(31(7,8)9)33-29-27(26(21(4)5)34-36(29)30(24)37)32-25-19-18-23(20-22(25)6)35(11-2)12-3;1-10-13-14-21-25(28(7,8)9)30-26-24(23(18(4)5)31-33(26)27(21)34)29-22-16-15-20(17-19(22)6)32(11-2)12-3/h19-22H,10-18H2,1-9H3;18-21H,10-17H2,1-9H3;15-18H,10-14H2,1-9H3/b33-28-;32-27-;29-24-
InChIKeyBOHXJDBUDUSVOK-UYNZTFMISA-N
XLogP20.83
TPSA188.55 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.20
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 21302210
6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-2,5-di(propan-2-yl)-6-propylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-pentyl-2,5-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-2,5,6-tri(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 159900536
3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584033
6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one
CID 58883157
3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584028
4-[(2-tert-butyl-6-propan-2-ylpyrazolo[1,5-b][1,2,4]triazol-7-ylidene)amino]-N,N-didodecyl-3-methoxyaniline
CID 90445350
3-[4-[benzyl(ethyl)amino]-2-methylphenyl]imino-6-butyl-2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717672
3-[4-(dimethylamino)-2-methylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584077
6-butyl-5-(3-ethoxyphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2-(2-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 20717654
2-[6-tert-butyl-7-[4-(dioctylamino)-2-methylphenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]-4-N,4-N-diethyl-1-N-ethynylbenzene-1,4-diamine
CID 58856849
5-(2,4-dibutoxyphenyl)-3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-6-propylpyrazolo[1,5-a]pyrimidin-7-one;5-(2,3-dimethylphenyl)-3-[4-[ethyl(2-methoxyethyl)amino]-2-methylphenyl]imino-2,6-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 91315935
(2E)-5,6-dibutyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-pentylidene-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123502208

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 157411287) is 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CCCCCCCc1c(C(C)(C)C)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.CCCCCCCc1c(C(C)(C)CC)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.CCCCc1c(C(C)(C)C)nc2n(c1=O)N=C(C(C)C)/C2=N/c1ccc(N(CC)CC)cc1C.
What is the InChIKey of 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BOHXJDBUDUSVOK-UYNZTFMISA-N. The full InChI is InChI=1S/C32H49N5O.C31H47N5O.C28H41N5O/c1-10-14-15-16-17-18-25-29(32(8,9)11-2)34-30-28(27(22(5)6)35-37(30)31(25)38)33-26-20-19-24(21-23(26)7)36(12-3)13-4;1-10-13-14-15-16-17-24-28(31(7,8)9)33-29-27(26(21(4)5)34-36(29)30(24)37)32-25-19-18-23(20-22(25)6)35(11-2)12-3;1-10-13-14-21-25(28(7,8)9)30-26-24(23(18(4)5)31-33(26)27(21)34)29-22-16-15-20(17-19(22)6)32(11-2)12-3/h19-22H,10-18H2,1-9H3;18-21H,10-17H2,1-9H3;15-18H,10-14H2,1-9H3/b33-28-;32-27-;29-24-.
What are the key properties of 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 1489.20 g/mol, XLogP of 20.83, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;5-tert-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one;3-[4-(diethylamino)-2-methylphenyl]imino-6-heptyl-5-(2-methylbutan-2-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 157411287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).