(1-benzylpyrazol-3-yl)methanamine

C11H13N3 — CID 55253053

IUPAC(1-benzylpyrazol-3-yl)methanamine
SMILESNCc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
InChIKeyFNPPCMTXXTXSQK-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.39
Rot. Bonds3

About (1-benzylpyrazol-3-yl)methanamine

(1-benzylpyrazol-3-yl)methanamine (PubChem CID 55253053) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (1-benzylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-benzylpyrazol-3-yl)methanamine
PubChem CID55253053
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(1-benzylpyrazol-3-yl)methanamine
SMILESNCc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2
InChIKeyFNPPCMTXXTXSQK-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 (1-benzylpyrazol-3-yl)methanamine?
The IUPAC name of (1-benzylpyrazol-3-yl)methanamine (CID 55253053) is (1-benzylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-benzylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-benzylpyrazol-3-yl)methanamine is NCc1ccn(Cc2ccccc2)n1.
What is the InChIKey of (1-benzylpyrazol-3-yl)methanamine?
The InChIKey is FNPPCMTXXTXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2.
What are the key properties of (1-benzylpyrazol-3-yl)methanamine?
(1-benzylpyrazol-3-yl)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 (1-benzylpyrazol-3-yl)methanamine is sourced from PubChem (CID 55253053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).