4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide

C14H22ClN3O2 — CID 77095387

IUPAC4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H22ClN3O2/c1-18-13(12(15)10-17-18)14(19)16-8-5-9-20-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H,16,19)
InChIKeySWROERAWCBIZCR-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.54
Rot. Bonds6

About 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide (PubChem CID 77095387) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide
PubChem CID77095387
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H22ClN3O2/c1-18-13(12(15)10-17-18)14(19)16-8-5-9-20-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H,16,19)
InChIKeySWROERAWCBIZCR-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide 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 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide (CID 77095387) is 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is SWROERAWCBIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-18-13(12(15)10-17-18)14(19)16-8-5-9-20-11-6-3-2-4-7-11/h10-11H,2-9H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclohexyloxypropyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 77095387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).