3-(5-methyl-1H-pyrazol-4-yl)propanenitrile

C7H9N3 — CID 121212043

IUPAC3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
SMILESCc1[nH]ncc1CCC#N
InChIInChI=1S/C7H9N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-3H2,1H3,(H,9,10)
InChIKeyLHCKAIHYIHRQQV-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.17
Rot. Bonds2

About 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile

3-(5-methyl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212043) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212043
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
SMILESCc1[nH]ncc1CCC#N
InChIInChI=1S/C7H9N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-3H2,1H3,(H,9,10)
InChIKeyLHCKAIHYIHRQQV-UHFFFAOYSA-N
XLogP1.17
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-phenyl-1H-pyrazol-4-yl)propanenitrile
CID 121212690
3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
2-cyano-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040285
2-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzonitrile
CID 103851222
2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile
CID 102624210
2-cyano-2-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040091
3-(5-bromo-4-methyl-3-pyridinyl)propanenitrile
CID 75406628
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione
CID 107409780
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788411
5-methyl-4-(2-methylbutyl)-1H-pyrazole
CID 118581492

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile (CID 121212043) is 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile is Cc1[nH]ncc1CCC#N.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is LHCKAIHYIHRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-7(3-2-4-8)5-9-10-6/h5H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile?
3-(5-methyl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 135.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).