7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H16N4O — CID 110850843

IUPAC7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)n3nccc3n2)c1
InChIInChI=1S/C16H16N4O/c1-11-4-3-5-13(8-11)10-17-16(21)14-9-12(2)20-15(19-14)6-7-18-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyKUAUWCKXPAJEFH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.28
Rot. Bonds3

About 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 110850843) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID110850843
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)n3nccc3n2)c1
InChIInChI=1S/C16H16N4O/c1-11-4-3-5-13(8-11)10-17-16(21)14-9-12(2)20-15(19-14)6-7-18-20/h3-9H,10H2,1-2H3,(H,17,21)
InChIKeyKUAUWCKXPAJEFH-UHFFFAOYSA-N
XLogP2.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(dimethylamino)-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171784
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
N-benzyl-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040792
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
N-benzyl-2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716800
N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 71838130
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3804725

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 110850843) is 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cccc(CNC(=O)c2cc(C)n3nccc3n2)c1.
What is the InChIKey of 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KUAUWCKXPAJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-4-3-5-13(8-11)10-17-16(21)14-9-12(2)20-15(19-14)6-7-18-20/h3-9H,10H2,1-2H3,(H,17,21).
What are the key properties of 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 110850843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).