2-pyrazol-1-ylbenzonitrile

C10H7N3 — CID 7164558

IUPAC2-pyrazol-1-ylbenzonitrile
SMILESN#Cc1ccccc1-n1cccn1
InChIInChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H
InChIKeyFMURBLXVPMFBMG-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.74
Rot. Bonds1

About 2-pyrazol-1-ylbenzonitrile

2-pyrazol-1-ylbenzonitrile (PubChem CID 7164558) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-pyrazol-1-ylbenzonitrile.

Molecular Properties

Compound Name2-pyrazol-1-ylbenzonitrile
PubChem CID7164558
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2-pyrazol-1-ylbenzonitrile
SMILESN#Cc1ccccc1-n1cccn1
InChIInChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H
InChIKeyFMURBLXVPMFBMG-UHFFFAOYSA-N
XLogP1.74
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
3-(4-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
CID 9881352
3-(3-Pyridin-2-yl-pyrazol-1-yl)-benzonitrile
CID 10192768
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-Benzyl-1H-pyrazole
CID 3546441

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylbenzonitrile?
The IUPAC name of 2-pyrazol-1-ylbenzonitrile (CID 7164558) is 2-pyrazol-1-ylbenzonitrile.
What is the SMILES notation for 2-pyrazol-1-ylbenzonitrile?
The canonical SMILES for 2-pyrazol-1-ylbenzonitrile is N#Cc1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylbenzonitrile?
The InChIKey is FMURBLXVPMFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H.
What are the key properties of 2-pyrazol-1-ylbenzonitrile?
2-pyrazol-1-ylbenzonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylbenzonitrile is sourced from PubChem (CID 7164558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).