4-(5-cyclopropylpyrazol-1-yl)benzonitrile

C13H11N3 — CID 74891905

IUPAC4-(5-cyclopropylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C13H11N3/c14-9-10-1-5-12(6-2-10)16-13(7-8-15-16)11-3-4-11/h1-2,5-8,11H,3-4H2
InChIKeyNRGMUCAJRLJYCG-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.62
Rot. Bonds2

About 4-(5-cyclopropylpyrazol-1-yl)benzonitrile

4-(5-cyclopropylpyrazol-1-yl)benzonitrile (PubChem CID 74891905) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(5-cyclopropylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-cyclopropylpyrazol-1-yl)benzonitrile
PubChem CID74891905
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name4-(5-cyclopropylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C13H11N3/c14-9-10-1-5-12(6-2-10)16-13(7-8-15-16)11-3-4-11/h1-2,5-8,11H,3-4H2
InChIKeyNRGMUCAJRLJYCG-UHFFFAOYSA-N
XLogP2.62
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-phenylpyrazole
CID 67206706
3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propanal
CID 117353589
4-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine
CID 118167040
4-[5-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-1-yl]benzonitrile
CID 123227617
4-[5-[(3S,4S)-3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-1-yl]benzonitrile
CID 118167024
[2-(4-cyanophenyl)pyrazol-3-yl]oxyboronic acid
CID 142761593
3-[4-(5-cyclopropylpyrazol-1-yl)phenyl]-3-methylbutanoic acid
CID 117457936
4-(3-cyclopropylazetidin-1-yl)benzonitrile
CID 90001838
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
2-(4-cyanophenyl)pyrazole-3-carboxylic acid;2-methyl-1,3-thiazole
CID 158699619
4-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperidin-3-yl)-1,2,4-triazol-1-yl]benzonitrile
CID 146042921
5-(3-bromocycloheptyl)-1-phenylpyrazole
CID 107331306

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropylpyrazol-1-yl)benzonitrile?
The IUPAC name of 4-(5-cyclopropylpyrazol-1-yl)benzonitrile (CID 74891905) is 4-(5-cyclopropylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(5-cyclopropylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 4-(5-cyclopropylpyrazol-1-yl)benzonitrile is N#Cc1ccc(-n2nccc2C2CC2)cc1.
What is the InChIKey of 4-(5-cyclopropylpyrazol-1-yl)benzonitrile?
The InChIKey is NRGMUCAJRLJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-9-10-1-5-12(6-2-10)16-13(7-8-15-16)11-3-4-11/h1-2,5-8,11H,3-4H2.
What are the key properties of 4-(5-cyclopropylpyrazol-1-yl)benzonitrile?
4-(5-cyclopropylpyrazol-1-yl)benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 74891905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).