N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide

C10H9ClN4O2 — CID 71918092

IUPACN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2ccn[nH]2)cc(Cl)c1=O
InChIInChI=1S/C10H9ClN4O2/c1-15-5-6(4-7(11)10(15)17)13-9(16)8-2-3-12-14-8/h2-5H,1H3,(H,12,14)(H,13,16)
InChIKeyXKGYBDJYHSKCCX-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.01
Rot. Bonds2

About N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide

N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 71918092) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID71918092
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCn1cc(NC(=O)c2ccn[nH]2)cc(Cl)c1=O
InChIInChI=1S/C10H9ClN4O2/c1-15-5-6(4-7(11)10(15)17)13-9(16)8-2-3-12-14-8/h2-5H,1H3,(H,12,14)(H,13,16)
InChIKeyXKGYBDJYHSKCCX-UHFFFAOYSA-N
XLogP1.01
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 53501364
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
N-[3-(cyclohexylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
CID 47342569
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109
N-(2,2-dimethylpropyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 71849508
2-methyl-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]piperidine-1-carboxamide
CID 86785517

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 71918092) is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide is Cn1cc(NC(=O)c2ccn[nH]2)cc(Cl)c1=O.
What is the InChIKey of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XKGYBDJYHSKCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-15-5-6(4-7(11)10(15)17)13-9(16)8-2-3-12-14-8/h2-5H,1H3,(H,12,14)(H,13,16).
What are the key properties of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide?
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71918092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).