N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C26H27N5O3S — CID 108801855

IUPACN-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C26H27N5O3S/c1-18-23(17-27-31(18)25-16-11-19-7-5-6-10-24(19)29-25)26(32)28-20-12-14-22(15-13-20)35(33,34)30-21-8-3-2-4-9-21/h5-7,10-17,21,30H,2-4,8-9H2,1H3,(H,28,32)
InChIKeyGHZZWYZEDBIZNE-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.59
Rot. Bonds6

About N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108801855) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108801855
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC NameN-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C26H27N5O3S/c1-18-23(17-27-31(18)25-16-11-19-7-5-6-10-24(19)29-25)26(32)28-20-12-14-22(15-13-20)35(33,34)30-21-8-3-2-4-9-21/h5-7,10-17,21,30H,2-4,8-9H2,1H3,(H,28,32)
InChIKeyGHZZWYZEDBIZNE-UHFFFAOYSA-N
XLogP4.59
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-quinolin-2-yl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 108789024
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
[4-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]phenyl] thiocyanate
CID 108788981
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
N-[4-(acetylsulfamoyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793466
5-methyl-N-(2-oxo-1H-pyrimidin-6-yl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801801
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108801855) is N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is GHZZWYZEDBIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-18-23(17-27-31(18)25-16-11-19-7-5-6-10-24(19)29-25)26(32)28-20-12-14-22(15-13-20)35(33,34)30-21-8-3-2-4-9-21/h5-7,10-17,21,30H,2-4,8-9H2,1H3,(H,28,32).
What are the key properties of N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylsulfamoyl)phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108801855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).