1-benzylpyrazole

C10H10N2 — CID 3546441

IUPAC1-benzylpyrazole
SMILESc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
InChIKeyAKQAJYLKBCWJBV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.93
Rot. Bonds2

About 1-benzylpyrazole

1-benzylpyrazole (PubChem CID 3546441) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-benzylpyrazole.

Molecular Properties

Compound Name1-benzylpyrazole
PubChem CID3546441
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-benzylpyrazole
SMILESc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
InChIKeyAKQAJYLKBCWJBV-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
1-(2-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
Fezolamine
CID 54567
1-(3-methylbenzyl)-1H-pyrazol-3-amine
CID 1511721
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
1-benzyl-1H-pyrazol-4-amine
CID 206694
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrazole?
The IUPAC name of 1-benzylpyrazole (CID 3546441) is 1-benzylpyrazole.
What is the SMILES notation for 1-benzylpyrazole?
The canonical SMILES for 1-benzylpyrazole is c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-benzylpyrazole?
The InChIKey is AKQAJYLKBCWJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2.
What are the key properties of 1-benzylpyrazole?
1-benzylpyrazole has a molecular weight of 158.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrazole is sourced from PubChem (CID 3546441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).