N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H13ClN6O — CID 19416844

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc2ncccn2n1
InChIInChI=1S/C17H13ClN6O/c18-13-4-2-12(3-5-13)10-23-11-14(9-20-23)21-17(25)15-8-16-19-6-1-7-24(16)22-15/h1-9,11H,10H2,(H,21,25)
InChIKeyAFHAKZIMTPMSTR-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.88
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19416844) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19416844
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc2ncccn2n1
InChIInChI=1S/C17H13ClN6O/c18-13-4-2-12(3-5-13)10-23-11-14(9-20-23)21-17(25)15-8-16-19-6-1-7-24(16)22-15/h1-9,11H,10H2,(H,21,25)
InChIKeyAFHAKZIMTPMSTR-UHFFFAOYSA-N
XLogP2.88
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440184
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 19441887
3-amino-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212451
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440296
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449275
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273335
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19416844) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc2ncccn2n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AFHAKZIMTPMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c18-13-4-2-12(3-5-13)10-23-11-14(9-20-23)21-17(25)15-8-16-19-6-1-7-24(16)22-15/h1-9,11H,10H2,(H,21,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 352.79 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19416844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).