1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine

C11H21N3 — CID 115921806

IUPAC1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)CCn1ccc(NC(C)C)n1
InChIInChI=1S/C11H21N3/c1-9(2)5-7-14-8-6-11(13-14)12-10(3)4/h6,8-10H,5,7H2,1-4H3,(H,12,13)
InChIKeyQQPFNXUDNVUYCF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.75
Rot. Bonds5

About 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine

1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine (PubChem CID 115921806) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
PubChem CID115921806
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine
SMILESCC(C)CCn1ccc(NC(C)C)n1
InChIInChI=1S/C11H21N3/c1-9(2)5-7-14-8-6-11(13-14)12-10(3)4/h6,8-10H,5,7H2,1-4H3,(H,12,13)
InChIKeyQQPFNXUDNVUYCF-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-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 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
The IUPAC name of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine (CID 115921806) is 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine is CC(C)CCn1ccc(NC(C)C)n1.
What is the InChIKey of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
The InChIKey is QQPFNXUDNVUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-7-14-8-6-11(13-14)12-10(3)4/h6,8-10H,5,7H2,1-4H3,(H,12,13).
What are the key properties of 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine?
1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 115921806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).