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

C14H24ClN3 — CID 114666318

IUPAC(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H24ClN3/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-
InChIKeyPYPCLTRDBRNWRS-GHXNOFRVSA-N
MW269.82 g/mol
LogP3.91
Rot. Bonds7

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

(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine (PubChem CID 114666318) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
PubChem CID114666318
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C14H24ClN3/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-
InChIKeyPYPCLTRDBRNWRS-GHXNOFRVSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.91
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-chloro-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

Related Compounds

(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666324
(Z)-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666323
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 114666338
4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 104940642
4-(2-chlorophenyl)-N-propylpent-3-en-1-amine
CID 79597836
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
4-(1-ethylpyrazol-4-yl)-N-propylpent-3-en-1-amine
CID 79598869
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(propylamino)ethanone
CID 114668866
(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
CID 114666319
N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940688

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine (CID 114666318) is (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)c1c(Cl)cnn1C(C)C.
What is the InChIKey of (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
The InChIKey is PYPCLTRDBRNWRS-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H24ClN3/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-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine?
(Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 114666318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).