(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine

C14H24BrN3 — CID 114666324

IUPAC(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H24BrN3/c1-5-8-16-9-6-7-12(4)14-13(15)10-17-18(14)11(2)3/h7,10-11,16H,5-6,8-9H2,1-4H3/b12-7-
InChIKeyFIOATZBIMGHNRT-GHXNOFRVSA-N
MW314.27 g/mol
LogP4.02
Rot. Bonds7

About (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine

(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine (PubChem CID 114666324) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
PubChem CID114666324
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H24BrN3/c1-5-8-16-9-6-7-12(4)14-13(15)10-17-18(14)11(2)3/h7,10-11,16H,5-6,8-9H2,1-4H3/b12-7-
InChIKeyFIOATZBIMGHNRT-GHXNOFRVSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-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 (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine (CID 114666324) is (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)c1c(Br)cnn1C(C)C.
What is the InChIKey of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The InChIKey is FIOATZBIMGHNRT-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-5-8-16-9-6-7-12(4)14-13(15)10-17-18(14)11(2)3/h7,10-11,16H,5-6,8-9H2,1-4H3/b12-7-.
What are the key properties of (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 114666324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).