3-chloro-5-methyl-1H-pyrazole-4-carbonitrile

C5H4ClN3 — CID 69012503

IUPAC3-chloro-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Cl)c1C#N
InChIInChI=1S/C5H4ClN3/c1-3-4(2-7)5(6)9-8-3/h1H3,(H,8,9)
InChIKeyDAULNHAHZIVTMI-UHFFFAOYSA-N
MW141.56 g/mol
LogP1.24
Rot. Bonds

About 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile

3-chloro-5-methyl-1H-pyrazole-4-carbonitrile (PubChem CID 69012503) has the molecular formula C5H4ClN3 and a molecular weight of 141.56 g/mol. Its IUPAC name is 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-methyl-1H-pyrazole-4-carbonitrile
PubChem CID69012503
Molecular FormulaC5H4ClN3
Molecular Weight141.56 g/mol
Exact Mass141.01
IUPAC Name3-chloro-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Cl)c1C#N
InChIInChI=1S/C5H4ClN3/c1-3-4(2-7)5(6)9-8-3/h1H3,(H,8,9)
InChIKeyDAULNHAHZIVTMI-UHFFFAOYSA-N
XLogP1.24
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.56
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 154181869
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-4-methylthiophene-2-sulfonamide
CID 91651974
2-bromo-5-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 100668364
2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
CID 86803070
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
CID 66980847
2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile
CID 59311782
3-amino-5-(4-chloro-2-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 70496979
3-chloro-5-methyl-4-nitro-1H-pyrazole
CID 23256
2,3,5-trichloro-6-methylbenzene-1,4-dicarbonitrile
CID 23382496

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile (CID 69012503) is 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile is Cc1[nH]nc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile?
The InChIKey is DAULNHAHZIVTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3/c1-3-4(2-7)5(6)9-8-3/h1H3,(H,8,9).
What are the key properties of 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile?
3-chloro-5-methyl-1H-pyrazole-4-carbonitrile has a molecular weight of 141.56 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 69012503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).