4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine

C13H25N3 — CID 81018593

IUPAC4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(CC(C)CCNC(C)C)n(C)n1
InChIInChI=1S/C13H25N3/c1-10(2)14-7-6-11(3)8-13-9-12(4)15-16(13)5/h9-11,14H,6-8H2,1-5H3
InChIKeyUMIRZGQEGJCYET-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.30
Rot. Bonds6

About 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine

4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81018593) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81018593
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(CC(C)CCNC(C)C)n(C)n1
InChIInChI=1S/C13H25N3/c1-10(2)14-7-6-11(3)8-13-9-12(4)15-16(13)5/h9-11,14H,6-8H2,1-5H3
InChIKeyUMIRZGQEGJCYET-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-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 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 81018593) is 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine is Cc1cc(CC(C)CCNC(C)C)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is UMIRZGQEGJCYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)14-7-6-11(3)8-13-9-12(4)15-16(13)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine?
4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81018593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).