3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide

C16H20FN5O3S — CID 53142769

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H20FN5O3S/c1-18-15(23)12-11-20(2)19-16(12)26(24,25)22-9-7-21(8-10-22)14-6-4-3-5-13(14)17/h3-6,11H,7-10H2,1-2H3,(H,18,23)
InChIKeyRAPGZCCGHZUYHV-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.43
Rot. Bonds4

About 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide

3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 53142769) has the molecular formula C16H20FN5O3S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide
PubChem CID53142769
Molecular FormulaC16H20FN5O3S
Molecular Weight381.43 g/mol
Exact Mass381.13
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H20FN5O3S/c1-18-15(23)12-11-20(2)19-16(12)26(24,25)22-9-7-21(8-10-22)14-6-4-3-5-13(14)17/h3-6,11H,7-10H2,1-2H3,(H,18,23)
InChIKeyRAPGZCCGHZUYHV-UHFFFAOYSA-N
XLogP0.43
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-Cyclopropylpyrazol-4-yl)-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
CID 164625313
N-[4-fluoro-3-(morpholine-4-sulfonyl)phenyl]-1-phenyl-1H-pyrazole-4-carboxamide
CID 17556804
N-(3,4-difluorophenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24790176
1-ethyl-4-{[(4-fluorophenyl)sulfonyl]amino}-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19584457
1-(4-fluorophenyl)-4-{1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 24816601
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 49663486
N-(2,4-difluorobenzyl)-1-ethyl-3-((4-methylpiperidin-1-yl)sulfonyl)-1H-pyrazole-4-carboxamide
CID 49663570
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 51128590
[1-(2-Fluorophenyl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 53553367
N-[[3-fluoro-4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 97213361
3-{[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-1-methyl-1H-pyrazole-4-carboxamide
CID 49663528
N-[4-({4-[2-(1H-pyrazol-1-yl)ethyl]piperazin-1-yl}sulfonyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide (CID 53142769) is 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide is CNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is RAPGZCCGHZUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3S/c1-18-15(23)12-11-20(2)19-16(12)26(24,25)22-9-7-21(8-10-22)14-6-4-3-5-13(14)17/h3-6,11H,7-10H2,1-2H3,(H,18,23).
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide?
3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 53142769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).