N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide

C15H12ClN5O — CID 1247210

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnccn1
InChIInChI=1S/C15H12ClN5O/c16-12-3-1-11(2-4-12)9-21-10-13(7-19-21)20-15(22)14-8-17-5-6-18-14/h1-8,10H,9H2,(H,20,22)
InChIKeyABYQWJAEJVXQBO-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.63
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 1247210) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID1247210
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnccn1
InChIInChI=1S/C15H12ClN5O/c16-12-3-1-11(2-4-12)9-21-10-13(7-19-21)20-15(22)14-8-17-5-6-18-14/h1-8,10H,9H2,(H,20,22)
InChIKeyABYQWJAEJVXQBO-UHFFFAOYSA-N
XLogP2.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide
CID 118946416
5,6-Diaryl-pyrazine-2-amide derivative, 7d
CID 10127040
N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16194125
N-[2-(4-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 18074426
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
(E)-N'-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)pyrazine-2-carbohydrazide
CID 6863602
6-Chloro-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)nicotinamide
CID 46885190
US9586948, Example 29
CID 117873092
US9586948, Example 31
CID 117873210
5-Chloro-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-2-carboxamide
CID 46885189
N-(3-chlorophenyl)-1-methyl-4-{[(E)-phenylmethylidene]amino}-1H-pyrazole-5-carboxamide
CID 832383
N-(2-chloro-3-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2310767

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 1247210) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cnccn1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is ABYQWJAEJVXQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-12-3-1-11(2-4-12)9-21-10-13(7-19-21)20-15(22)14-8-17-5-6-18-14/h1-8,10H,9H2,(H,20,22).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 313.75 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 1247210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).