1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide

C19H25N5O4S — CID 56585894

IUPAC1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)CC1
InChIInChI=1S/C19H25N5O4S/c1-13-2-4-15(5-3-13)23-29(27,28)12-18(25)21-14-6-8-16(9-7-14)24-11-10-17(22-24)19(20)26/h6-11,13,15,23H,2-5,12H2,1H3,(H2,20,26)(H,21,25)
InChIKeyMOKCOYFYTGCYMW-UHFFFAOYSA-N
MW419.51 g/mol
LogP1.41
Rot. Bonds7

About 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide

1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 56585894) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID56585894
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)CC1
InChIInChI=1S/C19H25N5O4S/c1-13-2-4-15(5-3-13)23-29(27,28)12-18(25)21-14-6-8-16(9-7-14)24-11-10-17(22-24)19(20)26/h6-11,13,15,23H,2-5,12H2,1H3,(H2,20,26)(H,21,25)
InChIKeyMOKCOYFYTGCYMW-UHFFFAOYSA-N
XLogP1.41
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
CID 56506902
N-[4-(3-carbamoylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 56507150
1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56507403
1-[4-(1,2,2-tricyanoethenylamino)phenyl]pyrazole-3-carboxamide
CID 168608349
2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid
CID 122109939
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
CID 56540115
1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 56508429
1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
CID 56506640
2-[(4-methylcyclohexyl)sulfamoyl]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]acetamide
CID 51134971
1-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 56507280
ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate
CID 60577223
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide (CID 56585894) is 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide is CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)CC1.
What is the InChIKey of 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is MOKCOYFYTGCYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-13-2-4-15(5-3-13)23-29(27,28)12-18(25)21-14-6-8-16(9-7-14)24-11-10-17(22-24)19(20)26/h6-11,13,15,23H,2-5,12H2,1H3,(H2,20,26)(H,21,25).
What are the key properties of 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide?
1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56585894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).