N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H15N7O2 — CID 19440296

IUPACN-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ncccn4n3)cc2)n1
InChIInChI=1S/C18H15N7O2/c1-24-10-7-14(22-24)17(26)20-12-3-5-13(6-4-12)21-18(27)15-11-16-19-8-2-9-25(16)23-15/h2-11H,1H3,(H,20,26)(H,21,27)
InChIKeyJKFUAMCGGXICSU-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.97
Rot. Bonds4

About N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19440296) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19440296
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ncccn4n3)cc2)n1
InChIInChI=1S/C18H15N7O2/c1-24-10-7-14(22-24)17(26)20-12-3-5-13(6-4-12)21-18(27)15-11-16-19-8-2-9-25(16)23-15/h2-11H,1H3,(H,20,26)(H,21,27)
InChIKeyJKFUAMCGGXICSU-UHFFFAOYSA-N
XLogP1.97
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4775057
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146125638
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
methyl 3-chloro-6-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)-1-benzothiophene-2-carboxylate
CID 19440279
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416844
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 103121322
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
CID 169248379

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19440296) is N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ncccn4n3)cc2)n1.
What is the InChIKey of N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JKFUAMCGGXICSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-24-10-7-14(22-24)17(26)20-12-3-5-13(6-4-12)21-18(27)15-11-16-19-8-2-9-25(16)23-15/h2-11H,1H3,(H,20,26)(H,21,27).
What are the key properties of N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19440296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).