5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19N5O2 — CID 166277308

IUPAC5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3cccc(N4CCCC4)c3)c2n1
InChIInChI=1S/C18H19N5O2/c1-12-9-16(24)23-17(20-12)15(11-19-23)18(25)21-13-5-4-6-14(10-13)22-7-2-3-8-22/h4-6,9-11,19H,2-3,7-8H2,1H3,(H,21,25)
InChIKeyTWJGWOCSWXQTPH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.18
Rot. Bonds3

About 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166277308) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166277308
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3cccc(N4CCCC4)c3)c2n1
InChIInChI=1S/C18H19N5O2/c1-12-9-16(24)23-17(20-12)15(11-19-23)18(25)21-13-5-4-6-14(10-13)22-7-2-3-8-22/h4-6,9-11,19H,2-3,7-8H2,1H3,(H,21,25)
InChIKeyTWJGWOCSWXQTPH-UHFFFAOYSA-N
XLogP2.18
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
N-(3,4-dimethoxyphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926698
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
6,8-dimethyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-3-carboxamide
CID 110422824
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 55877092
4-methyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 75450141
5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973398
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166277308) is 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)Nc3cccc(N4CCCC4)c3)c2n1.
What is the InChIKey of 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TWJGWOCSWXQTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-9-16(24)23-17(20-12)15(11-19-23)18(25)21-13-5-4-6-14(10-13)22-7-2-3-8-22/h4-6,9-11,19H,2-3,7-8H2,1H3,(H,21,25).
What are the key properties of 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166277308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).