4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide

C16H18ClF2N3OS — CID 19932323

IUPAC4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide
SMILESCCCN(CCC)C(=O)n1cc(Cl)c(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C16H18ClF2N3OS/c1-3-7-21(8-4-2)16(23)22-10-12(17)15(20-22)24-14-6-5-11(18)9-13(14)19/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyOSTNYPSCDWLIBY-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.06
Rot. Bonds6

About 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide

4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide (PubChem CID 19932323) has the molecular formula C16H18ClF2N3OS and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide
PubChem CID19932323
Molecular FormulaC16H18ClF2N3OS
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Name4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide
SMILESCCCN(CCC)C(=O)n1cc(Cl)c(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C16H18ClF2N3OS/c1-3-7-21(8-4-2)16(23)22-10-12(17)15(20-22)24-14-6-5-11(18)9-13(14)19/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyOSTNYPSCDWLIBY-UHFFFAOYSA-N
XLogP5.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-chloro-3-(2,4-difluorophenyl)sulfanyl-N-methylpyrazole-1-carboxamide
CID 19932218
4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide
CID 19931932
3-(2-chloro-6-fluorophenyl)sulfanyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19932210
3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761292
4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931968
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one
CID 112677665
4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931935
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032
methyl 3-[[2-(2,4-difluorophenyl)sulfanylacetyl]-ethylamino]propanoate
CID 61011021
3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide
CID 19931871
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide (CID 19932323) is 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide is CCCN(CCC)C(=O)n1cc(Cl)c(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
The InChIKey is OSTNYPSCDWLIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3OS/c1-3-7-21(8-4-2)16(23)22-10-12(17)15(20-22)24-14-6-5-11(18)9-13(14)19/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide is sourced from PubChem (CID 19932323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).