N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide

C24H24Cl2N4O2 — CID 55906262

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C24H24Cl2N4O2/c25-21-9-5-4-6-16(21)14-30-15-17(13-27-30)23(31)29-19-10-11-22(26)20(12-19)24(32)28-18-7-2-1-3-8-18/h4-6,9-13,15,18H,1-3,7-8,14H2,(H,28,32)(H,29,31)
InChIKeyDMOGBHDVXHADHO-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.55
Rot. Bonds6

About N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 55906262) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID55906262
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C24H24Cl2N4O2/c25-21-9-5-4-6-16(21)14-30-15-17(13-27-30)23(31)29-19-10-11-22(26)20(12-19)24(32)28-18-7-2-1-3-8-18/h4-6,9-13,15,18H,1-3,7-8,14H2,(H,28,32)(H,29,31)
InChIKeyDMOGBHDVXHADHO-UHFFFAOYSA-N
XLogP5.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25392689
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CID 75361341
1-[(2-chlorophenyl)methyl]-N-(3-cyclopentylsulfonylphenyl)pyrazole-4-carboxamide
CID 55612679
[2-(cycloheptylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
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1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
CID 38588800
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
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CID 24641718
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
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1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide (CID 55906262) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is DMOGBHDVXHADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c25-21-9-5-4-6-16(21)14-30-15-17(13-27-30)23(31)29-19-10-11-22(26)20(12-19)24(32)28-18-7-2-1-3-8-18/h4-6,9-13,15,18H,1-3,7-8,14H2,(H,28,32)(H,29,31).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).