2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile

C14H13N3 — CID 114016967

IUPAC2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile
SMILESCc1ccc(-n2ccc(C3CC3)n2)c(C#N)c1
InChIInChI=1S/C14H13N3/c1-10-2-5-14(12(8-10)9-15)17-7-6-13(16-17)11-3-4-11/h2,5-8,11H,3-4H2,1H3
InChIKeyYSMHNGQNWCOTJF-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.93
Rot. Bonds2

About 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile

2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile (PubChem CID 114016967) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile
PubChem CID114016967
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile
SMILESCc1ccc(-n2ccc(C3CC3)n2)c(C#N)c1
InChIInChI=1S/C14H13N3/c1-10-2-5-14(12(8-10)9-15)17-7-6-13(16-17)11-3-4-11/h2,5-8,11H,3-4H2,1H3
InChIKeyYSMHNGQNWCOTJF-UHFFFAOYSA-N
XLogP2.93
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopropylpyrazol-1-yl)-4-methylbenzonitrile
CID 62487598
3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
CID 114287794
1-(2-cyano-4-methylphenyl)pyrazole-3-carboxylic acid
CID 107931930
2-amino-5-(3-cyclopropylpyrazol-1-yl)benzonitrile
CID 115499705
2-(3-cyclopropylpyrazol-1-yl)-4-methylpyridine
CID 59448030
2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile
CID 62308531
[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methanol
CID 62488140
3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 62487095
1-[2-(bromomethyl)-4-nitrophenyl]-3-cyclopropylpyrazole
CID 107086093
4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 62488655
5-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 107927608
5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline
CID 62492936

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile (CID 114016967) is 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile is Cc1ccc(-n2ccc(C3CC3)n2)c(C#N)c1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile?
The InChIKey is YSMHNGQNWCOTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-2-5-14(12(8-10)9-15)17-7-6-13(16-17)11-3-4-11/h2,5-8,11H,3-4H2,1H3.
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile?
2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile has a molecular weight of 223.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-5-methylbenzonitrile is sourced from PubChem (CID 114016967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).