1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide

C23H33N5O3S — CID 55876153

IUPAC1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)c2)CC1
InChIInChI=1S/C23H33N5O3S/c1-5-26-11-13-27(14-12-26)32(30,31)19-8-6-7-18(15-19)24-22(29)20-16-21(17-9-10-17)28(25-20)23(2,3)4/h6-8,15-17H,5,9-14H2,1-4H3,(H,24,29)
InChIKeyUTHHDZABLIWMCG-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.09
Rot. Bonds6

About 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide (PubChem CID 55876153) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
PubChem CID55876153
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)c2)CC1
InChIInChI=1S/C23H33N5O3S/c1-5-26-11-13-27(14-12-26)32(30,31)19-8-6-7-18(15-19)24-22(29)20-16-21(17-9-10-17)28(25-20)23(2,3)4/h6-8,15-17H,5,9-14H2,1-4H3,(H,24,29)
InChIKeyUTHHDZABLIWMCG-UHFFFAOYSA-N
XLogP3.09
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
5-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 55638960
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120639924
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
CID 32999319
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790313
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43029814
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
5-cyclopropyl-N-(3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 31810077
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 46816110
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide (CID 55876153) is 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)c2)CC1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
The InChIKey is UTHHDZABLIWMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-5-26-11-13-27(14-12-26)32(30,31)19-8-6-7-18(15-19)24-22(29)20-16-21(17-9-10-17)28(25-20)23(2,3)4/h6-8,15-17H,5,9-14H2,1-4H3,(H,24,29).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55876153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).