5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine

C10H19N3 — CID 63047816

IUPAC5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCCC(C)c1cc(NC(C)C)n[nH]1
InChIInChI=1S/C10H19N3/c1-5-8(4)9-6-10(13-12-9)11-7(2)3/h6-8H,5H2,1-4H3,(H2,11,12,13)
InChIKeyHOPPVXFFBUIDLX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.74
Rot. Bonds4

About 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine

5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 63047816) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine
PubChem CID63047816
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCCC(C)c1cc(NC(C)C)n[nH]1
InChIInChI=1S/C10H19N3/c1-5-8(4)9-6-10(13-12-9)11-7(2)3/h6-8H,5H2,1-4H3,(H2,11,12,13)
InChIKeyHOPPVXFFBUIDLX-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-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 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine (CID 63047816) is 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine is CCC(C)c1cc(NC(C)C)n[nH]1.
What is the InChIKey of 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is HOPPVXFFBUIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(4)9-6-10(13-12-9)11-7(2)3/h6-8H,5H2,1-4H3,(H2,11,12,13).
What are the key properties of 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine?
5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).