5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N4O2 — CID 50926691

IUPAC5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3cccc(C(C)C)c3)c2n1
InChIInChI=1S/C17H18N4O2/c1-10(2)12-5-4-6-13(8-12)20-17(23)14-9-18-21-15(22)7-11(3)19-16(14)21/h4-10,18H,1-3H3,(H,20,23)
InChIKeyMHRIIHYOAIPKPI-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.71
Rot. Bonds3

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

5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926691) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926691
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3cccc(C(C)C)c3)c2n1
InChIInChI=1S/C17H18N4O2/c1-10(2)12-5-4-6-13(8-12)20-17(23)14-9-18-21-15(22)7-11(3)19-16(14)21/h4-10,18H,1-3H3,(H,20,23)
InChIKeyMHRIIHYOAIPKPI-UHFFFAOYSA-N
XLogP2.71
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277308
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
methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 110485775
N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926736
N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926730
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774
4-chloro-6-methyl-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 81225795
N-(3-methylphenyl)-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 46295691
N-(3-chlorophenyl)-5-(1-ethyl-5-oxopyrrolidin-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110252407
5-[2-(3,5-dimethyl-2H-pyrrol-4-yl)ethyl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152785745

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926691) is 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)Nc3cccc(C(C)C)c3)c2n1.
What is the InChIKey of 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MHRIIHYOAIPKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10(2)12-5-4-6-13(8-12)20-17(23)14-9-18-21-15(22)7-11(3)19-16(14)21/h4-10,18H,1-3H3,(H,20,23).
What are the key properties of 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-N-(3-propan-2-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).