5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile

C9H7ClN4 — CID 118022771

IUPAC5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile
SMILESN#CC1CC(Cl)=NN1c1cccnc1
InChIInChI=1S/C9H7ClN4/c10-9-4-8(5-11)14(13-9)7-2-1-3-12-6-7/h1-3,6,8H,4H2
InChIKeyLQWHCKGJTOYJDZ-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.74
Rot. Bonds1

About 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile

5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile (PubChem CID 118022771) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile
PubChem CID118022771
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile
SMILESN#CC1CC(Cl)=NN1c1cccnc1
InChIInChI=1S/C9H7ClN4/c10-9-4-8(5-11)14(13-9)7-2-1-3-12-6-7/h1-3,6,8H,4H2
InChIKeyLQWHCKGJTOYJDZ-UHFFFAOYSA-N
XLogP1.74
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71721220
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(3S)-1-pyridin-3-ylpiperidine-3-carbonitrile
CID 86336417
(5S)-1-methyl-5-pyridin-3-ylpyrrolidine-2-carbonitrile
CID 21124107
5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile
CID 110448644
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine
CID 59446270
1-pyridin-3-ylpyrrolidin-2-amine
CID 54403911
dichloroplatinum;bis(pyridine-3-carbonitrile)
CID 4683431
(2S)-1-methyl-2-pyridin-3-ylpyrrolidine-3-carbonitrile
CID 67821180
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
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2-pyridin-3-ylcyclohexane-1-carbonitrile
CID 82241004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile?
The IUPAC name of 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile (CID 118022771) is 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile?
The canonical SMILES for 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile is N#CC1CC(Cl)=NN1c1cccnc1.
What is the InChIKey of 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile?
The InChIKey is LQWHCKGJTOYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c10-9-4-8(5-11)14(13-9)7-2-1-3-12-6-7/h1-3,6,8H,4H2.
What are the key properties of 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile?
5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile has a molecular weight of 206.64 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyridin-3-yl-3,4-dihydropyrazole-3-carbonitrile is sourced from PubChem (CID 118022771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).