2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile

C15H17N3 — CID 107107403

IUPAC2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile
SMILESCCc1cc(CC)n(-c2c(C)cccc2C#N)n1
InChIInChI=1S/C15H17N3/c1-4-13-9-14(5-2)18(17-13)15-11(3)7-6-8-12(15)10-16/h6-9H,4-5H2,1-3H3
InChIKeyLFPATNGAKXHRGU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.18
Rot. Bonds3

About 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile

2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile (PubChem CID 107107403) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile
PubChem CID107107403
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile
SMILESCCc1cc(CC)n(-c2c(C)cccc2C#N)n1
InChIInChI=1S/C15H17N3/c1-4-13-9-14(5-2)18(17-13)15-11(3)7-6-8-12(15)10-16/h6-9H,4-5H2,1-3H3
InChIKeyLFPATNGAKXHRGU-UHFFFAOYSA-N
XLogP3.18
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-cyano-6-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 107111691
[6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 82693564
3-amino-4-(3,5-diethylpyrazol-1-yl)benzonitrile
CID 82692311
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411
4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
CID 45095734
4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylbenzonitrile
CID 170641587
2-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbenzonitrile
CID 107106438
2-(3-amino-4-chloropyrazol-1-yl)-3-methylbenzonitrile
CID 107111617
4-(3,5-diethylpyrazol-1-yl)pyridine
CID 82700412
2-(3,5-diethylpyrazol-1-yl)-3-methylquinoxaline
CID 82698966
5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82693965

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile (CID 107107403) is 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile is CCc1cc(CC)n(-c2c(C)cccc2C#N)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile?
The InChIKey is LFPATNGAKXHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-13-9-14(5-2)18(17-13)15-11(3)7-6-8-12(15)10-16/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile?
2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-3-methylbenzonitrile is sourced from PubChem (CID 107107403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).