7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H26N4O — CID 57387345

IUPAC7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12
InChIInChI=1S/C25H26N4O/c1-17(2)20-9-11-21(12-10-20)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-14-13-19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)
InChIKeyMCWGQSJHHTZDEW-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.80
Rot. Bonds6

About 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 57387345) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID57387345
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12
InChIInChI=1S/C25H26N4O/c1-17(2)20-9-11-21(12-10-20)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-14-13-19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,26,30)
InChIKeyMCWGQSJHHTZDEW-UHFFFAOYSA-N
XLogP4.80
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-(2-phenoxyethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44580008
N-[2-(2-fluorophenoxy)ethyl]-7-methyl-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44579646
7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 25101223
3-(3-chlorophenyl)-N-(3,3-diphenylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46084720
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119526949
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
2,5-dimethyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974414
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
2-(4-methoxyphenyl)-N-(2-phenylethyl)-6-propan-2-ylquinoline-4-carboxamide
CID 3443764
3-(4-fluorophenyl)-N-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 43865277

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 57387345) is 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCc2ccccc2)cnc2c(-c3ccc(C(C)C)cc3)cnn12.
What is the InChIKey of 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MCWGQSJHHTZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-17(2)20-9-11-21(12-10-20)23-16-28-29-18(3)22(15-27-24(23)29)25(30)26-14-13-19-7-5-4-6-8-19/h4-12,15-17H,13-14H2,1-3H3,(H,26,30).
What are the key properties of 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-phenylethyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 57387345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).