[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine

C13H17N3 — CID 105469022

IUPAC[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1-c1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-3-16-13(12(8-14)9-15-16)11-6-4-5-10(2)7-11/h4-7,9H,3,8,14H2,1-2H3
InChIKeyQVKFYURSRFCPBZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds3

About [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine

[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine (PubChem CID 105469022) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
PubChem CID105469022
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1-c1cccc(C)c1
InChIInChI=1S/C13H17N3/c1-3-16-13(12(8-14)9-15-16)11-6-4-5-10(2)7-11/h4-7,9H,3,8,14H2,1-2H3
InChIKeyQVKFYURSRFCPBZ-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine (CID 105469022) is [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine is CCn1ncc(CN)c1-c1cccc(C)c1.
What is the InChIKey of [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine?
The InChIKey is QVKFYURSRFCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-16-13(12(8-14)9-15-16)11-6-4-5-10(2)7-11/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine?
[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 105469022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).