4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine

C13H22ClN3 — CID 104940642

IUPAC4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCCn1ncc(Cl)c1C(C)=CCCNC(C)C
InChIInChI=1S/C13H22ClN3/c1-5-17-13(12(14)9-16-17)11(4)7-6-8-15-10(2)3/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyHNFBSBJFXKTMNM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.35
Rot. Bonds6

About 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine

4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 104940642) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID104940642
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCCn1ncc(Cl)c1C(C)=CCCNC(C)C
InChIInChI=1S/C13H22ClN3/c1-5-17-13(12(14)9-16-17)11(4)7-6-8-15-10(2)3/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyHNFBSBJFXKTMNM-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-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-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666318
(Z)-4-(5-bromo-3-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 106463882
N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79598749
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544
4-amino-1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670411
4-chloro-1-ethylpyrazole-5-carboximidamide
CID 83874157
1-(4-chloro-1-ethylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115803878
4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
CID 19477175
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895
(Z)-4-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666324
2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114665970

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine (CID 104940642) is 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine is CCn1ncc(Cl)c1C(C)=CCCNC(C)C.
What is the InChIKey of 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is HNFBSBJFXKTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-5-17-13(12(14)9-16-17)11(4)7-6-8-15-10(2)3/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine?
4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-ethylpyrazol-5-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 104940642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).