1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole

C13H12N4 — CID 101492467

IUPAC1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
SMILESc1ccc(-n2cccn2)c(Cn2cccn2)c1
InChIInChI=1S/C13H12N4/c1-2-6-13(17-10-4-8-15-17)12(5-1)11-16-9-3-7-14-16/h1-10H,11H2
InChIKeyBMXMWIBWHWLBKL-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.12
Rot. Bonds3

About 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole

1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole (PubChem CID 101492467) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
PubChem CID101492467
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
SMILESc1ccc(-n2cccn2)c(Cn2cccn2)c1
InChIInChI=1S/C13H12N4/c1-2-6-13(17-10-4-8-15-17)12(5-1)11-16-9-3-7-14-16/h1-10H,11H2
InChIKeyBMXMWIBWHWLBKL-UHFFFAOYSA-N
XLogP2.12
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(pyrazol-1-ylmethyl)phenyl]isoindole-1,3-dione
CID 168519794
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
4-(2-pyrazol-1-ylphenyl)butan-1-amine
CID 117307081
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole?
The IUPAC name of 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole (CID 101492467) is 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole?
The canonical SMILES for 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole is c1ccc(-n2cccn2)c(Cn2cccn2)c1.
What is the InChIKey of 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole?
The InChIKey is BMXMWIBWHWLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-6-13(17-10-4-8-15-17)12(5-1)11-16-9-3-7-14-16/h1-10H,11H2.
What are the key properties of 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole?
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole has a molecular weight of 224.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole is sourced from PubChem (CID 101492467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).