N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine

C10H19N3 — CID 134353677

IUPACN-(4-methylhexan-3-yl)-1H-pyrazol-5-amine
SMILESCCC(C)C(CC)Nc1ccn[nH]1
InChIInChI=1S/C10H19N3/c1-4-8(3)9(5-2)12-10-6-7-11-13-10/h6-9H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyJUJVYGXWDBKTBW-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.65
Rot. Bonds5

About N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine

N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine (PubChem CID 134353677) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(4-methylhexan-3-yl)-1H-pyrazol-5-amine
PubChem CID134353677
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(4-methylhexan-3-yl)-1H-pyrazol-5-amine
SMILESCCC(C)C(CC)Nc1ccn[nH]1
InChIInChI=1S/C10H19N3/c1-4-8(3)9(5-2)12-10-6-7-11-13-10/h6-9H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeyJUJVYGXWDBKTBW-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-methylhexan-3-yl)-1H-pyrazol-5-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 N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine?
The IUPAC name of N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine (CID 134353677) is N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine is CCC(C)C(CC)Nc1ccn[nH]1.
What is the InChIKey of N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine?
The InChIKey is JUJVYGXWDBKTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-8(3)9(5-2)12-10-6-7-11-13-10/h6-9H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine?
N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine has a molecular weight of 181.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 134353677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).