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

C11H13N3 — CID 7131579

IUPAC[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H13N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9,12H2
InChIKeyPTNZUQYUPCUNSX-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.39
Rot. Bonds3

About [4-(pyrazol-1-ylmethyl)phenyl]methanamine

[4-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 7131579) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [4-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID7131579
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H13N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9,12H2
InChIKeyPTNZUQYUPCUNSX-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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Frequently Asked Questions

What is the IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 7131579) is [4-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(pyrazol-1-ylmethyl)phenyl]methanamine is NCc1ccc(Cn2cccn2)cc1.
What is the InChIKey of [4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is PTNZUQYUPCUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9,12H2.
What are the key properties of [4-(pyrazol-1-ylmethyl)phenyl]methanamine?
[4-(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 [4-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 7131579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).