N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

C25H30N4O3S — CID 57398257

IUPACN-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H30N4O3S/c1-18-14-16-22(17-15-18)33(31,32)27-24-23(25(30)28(3)20-10-6-4-7-11-20)19(2)26-29(24)21-12-8-5-9-13-21/h5,8-9,12-17,20,27H,4,6-7,10-11H2,1-3H3
InChIKeyLZJNFCVJVFKBPQ-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.69
Rot. Bonds6

About N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 57398257) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
PubChem CID57398257
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H30N4O3S/c1-18-14-16-22(17-15-18)33(31,32)27-24-23(25(30)28(3)20-10-6-4-7-11-20)19(2)26-29(24)21-12-8-5-9-13-21/h5,8-9,12-17,20,27H,4,6-7,10-11H2,1-3H3
InChIKeyLZJNFCVJVFKBPQ-UHFFFAOYSA-N
XLogP4.69
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (CID 57398257) is N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)N(C)C3CCCCC3)c(C)nn2-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is LZJNFCVJVFKBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-18-14-16-22(17-15-18)33(31,32)27-24-23(25(30)28(3)20-10-6-4-7-11-20)19(2)26-29(24)21-12-8-5-9-13-21/h5,8-9,12-17,20,27H,4,6-7,10-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3-dimethyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57398257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).