[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine

C11H13N3 — CID 16658020

IUPAC[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine
SMILESCc1[nH]ncc1-c1ccc(CN)cc1
InChIInChI=1S/C11H13N3/c1-8-11(7-13-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyZITSEBYALOAKQF-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.84
Rot. Bonds2

About [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine

[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine (PubChem CID 16658020) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine
PubChem CID16658020
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine
SMILESCc1[nH]ncc1-c1ccc(CN)cc1
InChIInChI=1S/C11H13N3/c1-8-11(7-13-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyZITSEBYALOAKQF-UHFFFAOYSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine (CID 16658020) is [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine is Cc1[nH]ncc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine?
The InChIKey is ZITSEBYALOAKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-11(7-13-14-8)10-4-2-9(6-12)3-5-10/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine?
[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 16658020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).