(3,5-diethyl-1-methylpyrazol-4-yl)methanamine

C9H17N3 — CID 71757240

IUPAC(3,5-diethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)c(CC)c1CN
InChIInChI=1S/C9H17N3/c1-4-8-7(6-10)9(5-2)12(3)11-8/h4-6,10H2,1-3H3
InChIKeyXYTONGZCTYIPTQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.00
Rot. Bonds3

About (3,5-diethyl-1-methylpyrazol-4-yl)methanamine

(3,5-diethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 71757240) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3,5-diethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-diethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID71757240
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3,5-diethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)c(CC)c1CN
InChIInChI=1S/C9H17N3/c1-4-8-7(6-10)9(5-2)12(3)11-8/h4-6,10H2,1-3H3
InChIKeyXYTONGZCTYIPTQ-UHFFFAOYSA-N
XLogP1.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-diethyl-1-methylpyrazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-diethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (3,5-diethyl-1-methylpyrazol-4-yl)methanamine (CID 71757240) is (3,5-diethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-diethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-diethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)c(CC)c1CN.
What is the InChIKey of (3,5-diethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is XYTONGZCTYIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8-7(6-10)9(5-2)12(3)11-8/h4-6,10H2,1-3H3.
What are the key properties of (3,5-diethyl-1-methylpyrazol-4-yl)methanamine?
(3,5-diethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 71757240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).