1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C22H22ClN3O2 — CID 24979696

IUPAC1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-15-8-10-16(11-9-15)21-18(22(27)24-13-17-5-4-12-28-17)14-26(25-21)20-7-3-2-6-19(20)23/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,24,27)
InChIKeyMIMHPEFFVDEQOM-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 24979696) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID24979696
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-15-8-10-16(11-9-15)21-18(22(27)24-13-17-5-4-12-28-17)14-26(25-21)20-7-3-2-6-19(20)23/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,24,27)
InChIKeyMIMHPEFFVDEQOM-UHFFFAOYSA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2593655
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42692723
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
3-(2,6-dichlorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 1070167
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125445329

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 24979696) is 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is MIMHPEFFVDEQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-8-10-16(11-9-15)21-18(22(27)24-13-17-5-4-12-28-17)14-26(25-21)20-7-3-2-6-19(20)23/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,24,27).
What are the key properties of 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24979696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).