1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide

C18H22ClN3O2 — CID 156601815

IUPAC1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCO2)cnn1-c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-12(2)17-14(18(23)20-10-13-6-5-9-24-13)11-21-22(17)16-8-4-3-7-15(16)19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,20,23)
InChIKeyPIJFTIFNWXKDEU-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.56
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 156601815) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID156601815
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCO2)cnn1-c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2/c1-12(2)17-14(18(23)20-10-13-6-5-9-24-13)11-21-22(17)16-8-4-3-7-15(16)19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,20,23)
InChIKeyPIJFTIFNWXKDEU-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-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

1-benzyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 42818321
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 24979696
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879
1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
CID 42818218
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652139
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 156601815) is 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC2CCCO2)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is PIJFTIFNWXKDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12(2)17-14(18(23)20-10-13-6-5-9-24-13)11-21-22(17)16-8-4-3-7-15(16)19/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,20,23).
What are the key properties of 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 156601815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).