N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide

C17H16ClN5O — CID 154750641

IUPACN-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C17H16ClN5O/c1-22(2)12-7-9-19-14(11-12)17(24)20-16-8-10-23(21-16)15-6-4-3-5-13(15)18/h3-11H,1-2H3,(H,20,21,24)
InChIKeyIPIQPUOKMOUFMS-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide

N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide (PubChem CID 154750641) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
PubChem CID154750641
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C17H16ClN5O/c1-22(2)12-7-9-19-14(11-12)17(24)20-16-8-10-23(21-16)15-6-4-3-5-13(15)18/h3-11H,1-2H3,(H,20,21,24)
InChIKeyIPIQPUOKMOUFMS-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chlorophenyl)pyrazol-3-yl]-1-methyl-4-oxopyridine-3-carboxamide
CID 167902267
N-(5-acetyl-2-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 99828836
1-(2-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 49488043
N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-4-methoxypyridine-2-carboxamide
CID 97157903
2-N-[1-(4-chlorophenyl)pyrazol-3-yl]pyridine-2,4-dicarboxamide
CID 167891870
N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 86801237
(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
CID 138968408
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
CID 90096262
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide (CID 154750641) is N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide is CN(C)c1ccnc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide?
The InChIKey is IPIQPUOKMOUFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-22(2)12-7-9-19-14(11-12)17(24)20-16-8-10-23(21-16)15-6-4-3-5-13(15)18/h3-11H,1-2H3,(H,20,21,24).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide?
N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-3-yl]-4-(dimethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 154750641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).