(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide

C20H32ClN3O2 — CID 31720156

IUPAC(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide
SMILESCc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C20H32ClN3O2/c1-15(2)14-24-20(21)18(16(3)23-24)10-11-19(25)22-12-7-13-26-17-8-5-4-6-9-17/h10-11,15,17H,4-9,12-14H2,1-3H3,(H,22,25)/b11-10+
InChIKeyOLZOJZHZFFVEDV-ZHACJKMWSA-N
MW381.95 g/mol
LogP4.37
Rot. Bonds9

About (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide

(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide (PubChem CID 31720156) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide
PubChem CID31720156
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC Name(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide
SMILESCc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C20H32ClN3O2/c1-15(2)14-24-20(21)18(16(3)23-24)10-11-19(25)22-12-7-13-26-17-8-5-4-6-9-17/h10-11,15,17H,4-9,12-14H2,1-3H3,(H,22,25)/b11-10+
InChIKeyOLZOJZHZFFVEDV-ZHACJKMWSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide 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 (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide (CID 31720156) is (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide is Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCCCOC1CCCCC1.
What is the InChIKey of (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide?
The InChIKey is OLZOJZHZFFVEDV-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H32ClN3O2/c1-15(2)14-24-20(21)18(16(3)23-24)10-11-19(25)22-12-7-13-26-17-8-5-4-6-9-17/h10-11,15,17H,4-9,12-14H2,1-3H3,(H,22,25)/b11-10+.
What are the key properties of (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide?
(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide has a molecular weight of 381.95 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-cyclohexyloxypropyl)prop-2-enamide is sourced from PubChem (CID 31720156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).