1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide

C23H25ClN4O2 — CID 38742483

IUPAC1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1
InChIInChI=1S/C23H25ClN4O2/c1-15(2)21-20(13-26-28(21)19-11-9-18(24)10-12-19)23(30)27(4)14-16-5-7-17(8-6-16)22(29)25-3/h5-13,15H,14H2,1-4H3,(H,25,29)
InChIKeyHOQNGGBQKUFINO-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 38742483) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID38742483
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1
InChIInChI=1S/C23H25ClN4O2/c1-15(2)21-20(13-26-28(21)19-11-9-18(24)10-12-19)23(30)27(4)14-16-5-7-17(8-6-16)22(29)25-3/h5-13,15H,14H2,1-4H3,(H,25,29)
InChIKeyHOQNGGBQKUFINO-UHFFFAOYSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 60516632
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
2-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119359343
ethyl 1-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38032998
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55676094
1-(4-chlorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 37352003
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 38742483) is 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is HOQNGGBQKUFINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15(2)21-20(13-26-28(21)19-11-9-18(24)10-12-19)23(30)27(4)14-16-5-7-17(8-6-16)22(29)25-3/h5-13,15H,14H2,1-4H3,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38742483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).