3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one

C24H33N5O — CID 58584033

IUPAC3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1c(C(C)C)nc2n(c1=O)N=C(C)/C2=N\c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C24H33N5O/c1-8-11-19-21(15(4)5)26-23-22(17(7)27-29(23)24(19)30)25-20-13-12-18(14-16(20)6)28(9-2)10-3/h12-15H,8-11H2,1-7H3/b25-22+
InChIKeyKUAYNHCEBZQSAB-YYDJUVGSSA-N
MW407.56 g/mol
LogP4.83
Rot. Bonds7

About 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one

3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58584033) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58584033
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1c(C(C)C)nc2n(c1=O)N=C(C)/C2=N\c1ccc(N(CC)CC)cc1C
InChIInChI=1S/C24H33N5O/c1-8-11-19-21(15(4)5)26-23-22(17(7)27-29(23)24(19)30)25-20-13-12-18(14-16(20)6)28(9-2)10-3/h12-15H,8-11H2,1-7H3/b25-22+
InChIKeyKUAYNHCEBZQSAB-YYDJUVGSSA-N
XLogP4.83
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(diethylamino)-2-methylphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584028
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-(dimethylamino)-2-methylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584077
6-butyl-3-[4-(diethylamino)-2-methylphenyl]imino-2,5-dimethylpyrazolo[1,5-a]pyridin-7-one
CID 58883157
3-[4-(diethylamino)phenyl]imino-2-methyl-5,6-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-one
CID 58584051
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
3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584099
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
3-[4-(dimethylamino)-2-methoxyphenyl]imino-2,6-dimethyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 58584055
3-[4-[benzyl(ethyl)amino]-2-methylphenyl]imino-6-butyl-2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 20717672
7-[4-(diethylamino)-2-methylphenyl]imino-3-(1,5-dimethylpyrazol-3-yl)-N,N,2-trimethylimidazo[1,2-b]pyrazole-6-carboxamide
CID 58621636

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one (CID 58584033) is 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one is CCCc1c(C(C)C)nc2n(c1=O)N=C(C)/C2=N\c1ccc(N(CC)CC)cc1C.
What is the InChIKey of 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KUAYNHCEBZQSAB-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H33N5O/c1-8-11-19-21(15(4)5)26-23-22(17(7)27-29(23)24(19)30)25-20-13-12-18(14-16(20)6)28(9-2)10-3/h12-15H,8-11H2,1-7H3/b25-22+.
What are the key properties of 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one?
3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 407.56 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methylphenyl]imino-2-methyl-5-propan-2-yl-6-propylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58584033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).