N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C18H16ClN7O — CID 19264469

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C18H16ClN7O/c19-15-4-2-14(3-5-15)12-24-11-7-17(23-24)21-18(27)16-6-10-26(22-16)13-25-9-1-8-20-25/h1-11H,12-13H2,(H,21,23,27)
InChIKeyFHESFUZERZMAOR-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.74
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264469) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264469
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C18H16ClN7O/c19-15-4-2-14(3-5-15)12-24-11-7-17(23-24)21-18(27)16-6-10-26(22-16)13-25-9-1-8-20-25/h1-11H,12-13H2,(H,21,23,27)
InChIKeyFHESFUZERZMAOR-UHFFFAOYSA-N
XLogP2.74
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 19475543
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279852
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280663
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264643
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264469) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccn(Cn2cccn2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is FHESFUZERZMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c19-15-4-2-14(3-5-15)12-24-11-7-17(23-24)21-18(27)16-6-10-26(22-16)13-25-9-1-8-20-25/h1-11H,12-13H2,(H,21,23,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 381.83 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).