5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile

C14H9ClN4 — CID 139537357

IUPAC5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile
SMILESCc1[nH]ncc1-c1nc2cccc(Cl)c2cc1C#N
InChIInChI=1S/C14H9ClN4/c1-8-11(7-17-19-8)14-9(6-16)5-10-12(15)3-2-4-13(10)18-14/h2-5,7H,1H3,(H,17,19)
InChIKeyNLFMACYKYNPKQA-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.46
Rot. Bonds1

About 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile

5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile (PubChem CID 139537357) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile
PubChem CID139537357
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile
SMILESCc1[nH]ncc1-c1nc2cccc(Cl)c2cc1C#N
InChIInChI=1S/C14H9ClN4/c1-8-11(7-17-19-8)14-9(6-16)5-10-12(15)3-2-4-13(10)18-14/h2-5,7H,1H3,(H,17,19)
InChIKeyNLFMACYKYNPKQA-UHFFFAOYSA-N
XLogP3.46
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-5-(trifluoromethyl)quinoline-3-carbonitrile
CID 141220018
4-chloro-3-(3-cyano-5-fluoroquinolin-2-yl)-N-methylbenzamide
CID 141219997
2-(5-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889940
2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
CID 58049919
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile
CID 137431183
6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 137438594
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220149
2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
CID 173165260
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
2-chloro-5-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzonitrile
CID 43686981
3-chloro-2-methoxybenzonitrile
CID 82652815
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
CID 1476365

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile (CID 139537357) is 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile is Cc1[nH]ncc1-c1nc2cccc(Cl)c2cc1C#N.
What is the InChIKey of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile?
The InChIKey is NLFMACYKYNPKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c1-8-11(7-17-19-8)14-9(6-16)5-10-12(15)3-2-4-13(10)18-14/h2-5,7H,1H3,(H,17,19).
What are the key properties of 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile?
5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-methyl-1H-pyrazol-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 139537357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).