3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C22H29N5O — CID 58584099

IUPAC3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C(C)C)nc2n(c1=O)N=C(C)/C2=N/c1c(C)cc(N(C)C)cc1C
InChIInChI=1S/C22H29N5O/c1-9-17-18(12(2)3)24-21-20(15(6)25-27(21)22(17)28)23-19-13(4)10-16(26(7)8)11-14(19)5/h10-12H,9H2,1-8H3/b23-20-
InChIKeyXKNAVPQLTHRXNT-ATJXCDBQSA-N
MW379.51 g/mol
LogP3.97
Rot. Bonds4

About 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one

3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58584099) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58584099
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C(C)C)nc2n(c1=O)N=C(C)/C2=N/c1c(C)cc(N(C)C)cc1C
InChIInChI=1S/C22H29N5O/c1-9-17-18(12(2)3)24-21-20(15(6)25-27(21)22(17)28)23-19-13(4)10-16(26(7)8)11-14(19)5/h10-12H,9H2,1-8H3/b23-20-
InChIKeyXKNAVPQLTHRXNT-ATJXCDBQSA-N
XLogP3.97
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 58584099) is 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C(C)C)nc2n(c1=O)N=C(C)/C2=N/c1c(C)cc(N(C)C)cc1C.
What is the InChIKey of 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XKNAVPQLTHRXNT-ATJXCDBQSA-N. The full InChI is InChI=1S/C22H29N5O/c1-9-17-18(12(2)3)24-21-20(15(6)25-27(21)22(17)28)23-19-13(4)10-16(26(7)8)11-14(19)5/h10-12H,9H2,1-8H3/b23-20-.
What are the key properties of 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 379.51 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-2,6-dimethylphenyl]imino-6-ethyl-2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58584099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).