2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine

C16H31N3 — CID 66441955

IUPAC2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)(C)C)cnn1C(CC)CC
InChIInChI=1S/C16H31N3/c1-7-10-15-13(11-17-16(4,5)6)12-18-19(15)14(8-2)9-3/h12,14,17H,7-11H2,1-6H3
InChIKeyNHOQFFZBVXOQOX-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.08
Rot. Bonds7

About 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine

2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 66441955) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID66441955
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)(C)C)cnn1C(CC)CC
InChIInChI=1S/C16H31N3/c1-7-10-15-13(11-17-16(4,5)6)12-18-19(15)14(8-2)9-3/h12,14,17H,7-11H2,1-6H3
InChIKeyNHOQFFZBVXOQOX-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-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 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine (CID 66441955) is 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine is CCCc1c(CNC(C)(C)C)cnn1C(CC)CC.
What is the InChIKey of 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is NHOQFFZBVXOQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-7-10-15-13(11-17-16(4,5)6)12-18-19(15)14(8-2)9-3/h12,14,17H,7-11H2,1-6H3.
What are the key properties of 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine?
2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pentan-3-yl-5-propylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66441955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).