N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide

C16H12ClN5O2 — CID 75370264

IUPACN-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C16H12ClN5O2/c17-11-4-5-14(18-9-11)21-15(23)10-2-1-3-12(8-10)20-16(24)13-6-7-19-22-13/h1-9H,(H,19,22)(H,20,24)(H,18,21,23)
InChIKeyNXCMUFFAQSTREF-UHFFFAOYSA-N
MW341.76 g/mol
LogP2.96
Rot. Bonds4

About N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide

N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 75370264) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID75370264
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC NameN-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2ccn[nH]2)c1
InChIInChI=1S/C16H12ClN5O2/c17-11-4-5-14(18-9-11)21-15(23)10-2-1-3-12(8-10)20-16(24)13-6-7-19-22-13/h1-9H,(H,19,22)(H,20,24)(H,18,21,23)
InChIKeyNXCMUFFAQSTREF-UHFFFAOYSA-N
XLogP2.96
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
N-(5-bromo-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 60778171
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
N-[3-(chloromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 114293227
3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913238
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-(5-chloro-2-pyridinyl)-1H-pyrazole-4-carboxamide
CID 43583033
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-(5-chloro-2-pyridinyl)-3-[[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]carbamoylamino]benzamide
CID 166324579

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide (CID 75370264) is N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1cccc(NC(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NXCMUFFAQSTREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2/c17-11-4-5-14(18-9-11)21-15(23)10-2-1-3-12(8-10)20-16(24)13-6-7-19-22-13/h1-9H,(H,19,22)(H,20,24)(H,18,21,23).
What are the key properties of N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide?
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 341.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75370264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).