N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide

C22H24ClN3O2 — CID 110309064

IUPACN-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)(O)c3ccc(Cl)cc3)nn2C)cc1C
InChIInChI=1S/C22H24ClN3O2/c1-14-5-6-16(11-15(14)2)20-12-19(25-26(20)4)21(27)24-13-22(3,28)17-7-9-18(23)10-8-17/h5-12,28H,13H2,1-4H3,(H,24,27)
InChIKeyIGZHARQXNWSGQO-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110309064) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110309064
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(C)(O)c3ccc(Cl)cc3)nn2C)cc1C
InChIInChI=1S/C22H24ClN3O2/c1-14-5-6-16(11-15(14)2)20-12-19(25-26(20)4)21(27)24-13-22(3,28)17-7-9-18(23)10-8-17/h5-12,28H,13H2,1-4H3,(H,24,27)
InChIKeyIGZHARQXNWSGQO-UHFFFAOYSA-N
XLogP3.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
5-(3,4-dimethylphenyl)-1-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 110312211
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110309072
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357218
5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide (CID 110309064) is N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(C)(O)c3ccc(Cl)cc3)nn2C)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is IGZHARQXNWSGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-14-5-6-16(11-15(14)2)20-12-19(25-26(20)4)21(27)24-13-22(3,28)17-7-9-18(23)10-8-17/h5-12,28H,13H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110309064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).