N-quinolin-5-yl-1H-pyrazole-5-carboxamide

C13H10N4O — CID 47177311

IUPACN-quinolin-5-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccn[nH]1
InChIInChI=1S/C13H10N4O/c18-13(12-6-8-15-17-12)16-11-5-1-4-10-9(11)3-2-7-14-10/h1-8H,(H,15,17)(H,16,18)
InChIKeyKYHYHCQLICZQLP-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.21
Rot. Bonds2

About N-quinolin-5-yl-1H-pyrazole-5-carboxamide

N-quinolin-5-yl-1H-pyrazole-5-carboxamide (PubChem CID 47177311) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-quinolin-5-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-quinolin-5-yl-1H-pyrazole-5-carboxamide
PubChem CID47177311
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-quinolin-5-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc2ncccc12)c1ccn[nH]1
InChIInChI=1S/C13H10N4O/c18-13(12-6-8-15-17-12)16-11-5-1-4-10-9(11)3-2-7-14-10/h1-8H,(H,15,17)(H,16,18)
InChIKeyKYHYHCQLICZQLP-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
CID 73213052
CID 73213052
3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 46404499
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
methyl N-quinolin-5-ylcarbamate
CID 110734012
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233

Frequently Asked Questions

What is the IUPAC name of N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-quinolin-5-yl-1H-pyrazole-5-carboxamide (CID 47177311) is N-quinolin-5-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-quinolin-5-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cccc2ncccc12)c1ccn[nH]1.
What is the InChIKey of N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
The InChIKey is KYHYHCQLICZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(12-6-8-15-17-12)16-11-5-1-4-10-9(11)3-2-7-14-10/h1-8H,(H,15,17)(H,16,18).
What are the key properties of N-quinolin-5-yl-1H-pyrazole-5-carboxamide?
N-quinolin-5-yl-1H-pyrazole-5-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-5-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47177311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).