[3-(pyrazol-1-ylmethyl)phenyl]methanamine

C11H13N3 — CID 16640564

IUPAC[3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESNCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H13N3/c12-8-10-3-1-4-11(7-10)9-14-6-2-5-13-14/h1-7H,8-9,12H2
InChIKeyXKFHMAZBNKKNMT-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.39
Rot. Bonds3

About [3-(pyrazol-1-ylmethyl)phenyl]methanamine

[3-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 16640564) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [3-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID16640564
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[3-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESNCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H13N3/c12-8-10-3-1-4-11(7-10)9-14-6-2-5-13-14/h1-7H,8-9,12H2
InChIKeyXKFHMAZBNKKNMT-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-pyrazol-3-amine
CID 1508616
1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
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
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898

Frequently Asked Questions

What is the IUPAC name of [3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [3-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 16640564) is [3-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [3-(pyrazol-1-ylmethyl)phenyl]methanamine is NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of [3-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is XKFHMAZBNKKNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-8-10-3-1-4-11(7-10)9-14-6-2-5-13-14/h1-7H,8-9,12H2.
What are the key properties of [3-(pyrazol-1-ylmethyl)phenyl]methanamine?
[3-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 16640564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).