N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C19H18N6O — CID 155910281

IUPACN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc4nc(C)cc(C)n4n3)[nH]n2)cc1
InChIInChI=1S/C19H18N6O/c1-11-4-6-14(7-5-11)15-9-16(23-22-15)19(26)21-17-10-18-20-12(2)8-13(3)25(18)24-17/h4-10H,1-3H3,(H,22,23)(H,21,24,26)
InChIKeySMMWUHYBSSNMOB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.30
Rot. Bonds3

About N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 155910281) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID155910281
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc4nc(C)cc(C)n4n3)[nH]n2)cc1
InChIInChI=1S/C19H18N6O/c1-11-4-6-14(7-5-11)15-9-16(23-22-15)19(26)21-17-10-18-20-12(2)8-13(3)25(18)24-17/h4-10H,1-3H3,(H,22,23)(H,21,24,26)
InChIKeySMMWUHYBSSNMOB-UHFFFAOYSA-N
XLogP3.30
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919058
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(2-bromo-4-methylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030513
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 17409371
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45189077
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 155910281) is N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc4nc(C)cc(C)n4n3)[nH]n2)cc1.
What is the InChIKey of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SMMWUHYBSSNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-4-6-14(7-5-11)15-9-16(23-22-15)19(26)21-17-10-18-20-12(2)8-13(3)25(18)24-17/h4-10H,1-3H3,(H,22,23)(H,21,24,26).
What are the key properties of N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 155910281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).