N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C27H25ClN4O2 — CID 55898914

IUPACN-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C
InChIInChI=1S/C27H25ClN4O2/c1-17(2)25-22(16-29-32(25)21-12-7-11-20(28)15-21)27(34)31-24-14-8-13-23(18(24)3)30-26(33)19-9-5-4-6-10-19/h4-17H,1-3H3,(H,30,33)(H,31,34)
InChIKeyGXQJOQGDJVXOSX-UHFFFAOYSA-N
MW472.98 g/mol
LogP6.46
Rot. Bonds6

About N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55898914) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55898914
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC NameN-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C
InChIInChI=1S/C27H25ClN4O2/c1-17(2)25-22(16-29-32(25)21-12-7-11-20(28)15-21)27(34)31-24-14-8-13-23(18(24)3)30-26(33)19-9-5-4-6-10-19/h4-17H,1-3H3,(H,30,33)(H,31,34)
InChIKeyGXQJOQGDJVXOSX-UHFFFAOYSA-N
XLogP6.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide
CID 46587147
N-[2-(benzenesulfonamido)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78851722
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55898914) is N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C.
What is the InChIKey of N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is GXQJOQGDJVXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c1-17(2)25-22(16-29-32(25)21-12-7-11-20(28)15-21)27(34)31-24-14-8-13-23(18(24)3)30-26(33)19-9-5-4-6-10-19/h4-17H,1-3H3,(H,30,33)(H,31,34).
What are the key properties of N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55898914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).