[4-(3-methylpyrazol-1-yl)phenyl]methanamine

C11H13N3 — CID 19627295

IUPAC[4-(3-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1ccn(-c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N3/c1-9-6-7-14(13-9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3
InChIKeyTWEIPWWFRGWHIA-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.64
Rot. Bonds2

About [4-(3-methylpyrazol-1-yl)phenyl]methanamine

[4-(3-methylpyrazol-1-yl)phenyl]methanamine (PubChem CID 19627295) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [4-(3-methylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methylpyrazol-1-yl)phenyl]methanamine
PubChem CID19627295
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[4-(3-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1ccn(-c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N3/c1-9-6-7-14(13-9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3
InChIKeyTWEIPWWFRGWHIA-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(3-methylpyrazol-1-yl)phenyl]methanamine (CID 19627295) is [4-(3-methylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-methylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-methylpyrazol-1-yl)phenyl]methanamine is Cc1ccn(-c2ccc(CN)cc2)n1.
What is the InChIKey of [4-(3-methylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is TWEIPWWFRGWHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-6-7-14(13-9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3.
What are the key properties of [4-(3-methylpyrazol-1-yl)phenyl]methanamine?
[4-(3-methylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 19627295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).