N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide

C14H9N5O — CID 79503748

IUPACN-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H9N5O/c15-7-9-8-17-19-13(9)18-14(20)11-3-1-5-12-10(11)4-2-6-16-12/h1-6,8H,(H2,17,18,19,20)
InChIKeyJKNNUOAKVDKIPR-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.08
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide (PubChem CID 79503748) has the molecular formula C14H9N5O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
PubChem CID79503748
Molecular FormulaC14H9N5O
Molecular Weight263.26 g/mol
Exact Mass263.08
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H9N5O/c15-7-9-8-17-19-13(9)18-14(20)11-3-1-5-12-10(11)4-2-6-16-12/h1-6,8H,(H2,17,18,19,20)
InChIKeyJKNNUOAKVDKIPR-UHFFFAOYSA-N
XLogP2.08
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
N-(5-ethyl-1H-pyrazol-3-yl)quinoline-5-carboxamide
CID 115609299
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
CID 79802018

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide (CID 79503748) is N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide is N#Cc1cn[nH]c1NC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide?
The InChIKey is JKNNUOAKVDKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O/c15-7-9-8-17-19-13(9)18-14(20)11-3-1-5-12-10(11)4-2-6-16-12/h1-6,8H,(H2,17,18,19,20).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide is sourced from PubChem (CID 79503748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).