3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine

C9H17N3 — CID 61000156

IUPAC3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCc1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-7(2)8(3)10-4-9-5-11-12-6-9/h5-8,10H,4H2,1-3H3,(H,11,12)
InChIKeyBZQIQXWLIRTRII-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine

3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine (PubChem CID 61000156) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine
PubChem CID61000156
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCc1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-7(2)8(3)10-4-9-5-11-12-6-9/h5-8,10H,4H2,1-3H3,(H,11,12)
InChIKeyBZQIQXWLIRTRII-UHFFFAOYSA-N
XLogP1.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine 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-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine (CID 61000156) is 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine is CC(C)C(C)NCc1cn[nH]c1.
What is the InChIKey of 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine?
The InChIKey is BZQIQXWLIRTRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)8(3)10-4-9-5-11-12-6-9/h5-8,10H,4H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine?
3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1H-pyrazol-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 61000156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).