3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H23ClN4O2 — CID 77083829

IUPAC3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCCOC3CCCCC3)nn2c1
InChIInChI=1S/C17H23ClN4O2/c1-12-10-20-16-14(18)15(21-22(16)11-12)17(23)19-8-5-9-24-13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H,19,23)
InChIKeyJKLNCLWCCGWREA-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.16
Rot. Bonds6

About 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 77083829) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID77083829
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnc2c(Cl)c(C(=O)NCCCOC3CCCCC3)nn2c1
InChIInChI=1S/C17H23ClN4O2/c1-12-10-20-16-14(18)15(21-22(16)11-12)17(23)19-8-5-9-24-13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H,19,23)
InChIKeyJKLNCLWCCGWREA-UHFFFAOYSA-N
XLogP3.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide 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

3-chloro-6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080620
N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
CID 122562458
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
3-chloro-N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91762320
5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
CID 99775439
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 77083829) is 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)NCCCOC3CCCCC3)nn2c1.
What is the InChIKey of 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JKLNCLWCCGWREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-12-10-20-16-14(18)15(21-22(16)11-12)17(23)19-8-5-9-24-13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H,19,23).
What are the key properties of 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 77083829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).