3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H23N5O4 — CID 135658788

IUPAC3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C#N)cnn32)cc(OC)c1OC
InChIInChI=1S/C24H23N5O4/c1-14-20(24(30)28-17-8-6-5-7-9-17)21(29-23(27-14)16(12-25)13-26-29)15-10-18(31-2)22(33-4)19(11-15)32-3/h5-11,13,21,27H,1-4H3,(H,28,30)
InChIKeyJTGZBVSZTOEQPV-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.71
Rot. Bonds6

About 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135658788) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135658788
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C#N)cnn32)cc(OC)c1OC
InChIInChI=1S/C24H23N5O4/c1-14-20(24(30)28-17-8-6-5-7-9-17)21(29-23(27-14)16(12-25)13-26-29)15-10-18(31-2)22(33-4)19(11-15)32-3/h5-11,13,21,27H,1-4H3,(H,28,30)
InChIKeyJTGZBVSZTOEQPV-UHFFFAOYSA-N
XLogP3.71
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136718362
(7R)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136718363
5-methyl-2-(2-methylphenyl)-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823016
5-methyl-2-(4-methylphenyl)-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814703
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584309
7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135653698
2-(4-tert-butylphenyl)-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135845840
ethyl 3-cyano-5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135558656
6-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551078
5-methyl-N-(4-methylphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805109
N-(4-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135578672
(7S)-7-(2,3-dimethoxyphenyl)-5-methyl-3-N-(4-methylphenyl)-6-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674504

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135658788) is 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(C2C(C(=O)Nc3ccccc3)=C(C)Nc3c(C#N)cnn32)cc(OC)c1OC.
What is the InChIKey of 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JTGZBVSZTOEQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14-20(24(30)28-17-8-6-5-7-9-17)21(29-23(27-14)16(12-25)13-26-29)15-10-18(31-2)22(33-4)19(11-15)32-3/h5-11,13,21,27H,1-4H3,(H,28,30).
What are the key properties of 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135658788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).