N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide

C20H13N5O — CID 122136059

IUPACN-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide
SMILESN#Cc1ccc(-n2nccc2NC(=O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H13N5O/c21-13-14-3-6-17(7-4-14)25-19(9-11-23-25)24-20(26)16-5-8-18-15(12-16)2-1-10-22-18/h1-12H,(H,24,26)
InChIKeyOMQNHCCEQSVEOD-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.54
Rot. Bonds3

About N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide

N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide (PubChem CID 122136059) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide
PubChem CID122136059
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC NameN-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide
SMILESN#Cc1ccc(-n2nccc2NC(=O)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C20H13N5O/c21-13-14-3-6-17(7-4-14)25-19(9-11-23-25)24-20(26)16-5-8-18-15(12-16)2-1-10-22-18/h1-12H,(H,24,26)
InChIKeyOMQNHCCEQSVEOD-UHFFFAOYSA-N
XLogP3.54
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538646
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-[2-(4-aminophenyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 62881555
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide?
The IUPAC name of N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide (CID 122136059) is N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide is N#Cc1ccc(-n2nccc2NC(=O)c2ccc3ncccc3c2)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide?
The InChIKey is OMQNHCCEQSVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c21-13-14-3-6-17(7-4-14)25-19(9-11-23-25)24-20(26)16-5-8-18-15(12-16)2-1-10-22-18/h1-12H,(H,24,26).
What are the key properties of N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide?
N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)pyrazol-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 122136059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).