1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide

C20H28N4O3S — CID 55946932

IUPAC1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1C
InChIInChI=1S/C20H28N4O3S/c1-6-28(26,27)23-16-10-9-15(11-13(16)2)21-19(25)17-12-18(14-7-8-14)24(22-17)20(3,4)5/h9-12,14,23H,6-8H2,1-5H3,(H,21,25)
InChIKeyWMORCDFTCPZWAU-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.84
Rot. Bonds6

About 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide (PubChem CID 55946932) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide
PubChem CID55946932
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1C
InChIInChI=1S/C20H28N4O3S/c1-6-28(26,27)23-16-10-9-15(11-13(16)2)21-19(25)17-12-18(14-7-8-14)24(22-17)20(3,4)5/h9-12,14,23H,6-8H2,1-5H3,(H,21,25)
InChIKeyWMORCDFTCPZWAU-UHFFFAOYSA-N
XLogP3.84
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 55883271
1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55876153
1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide
CID 75469389
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 55952950
1-tert-butyl-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-cyclopropylpyrazole-3-carboxamide
CID 55872575
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
N-[4-(ethylsulfonylamino)-3-methylphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55947174
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788893
1-tert-butyl-5-cyclopropyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 49008360

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide (CID 55946932) is 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1C.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is WMORCDFTCPZWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-6-28(26,27)23-16-10-9-15(11-13(16)2)21-19(25)17-12-18(14-7-8-14)24(22-17)20(3,4)5/h9-12,14,23H,6-8H2,1-5H3,(H,21,25).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55946932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).