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

C16H18ClF2N3OS — CID 19931867

IUPAC4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide
SMILESCCCN(CCC)C(=O)n1cc(Cl)c(Sc2cccc(F)c2F)n1
InChIInChI=1S/C16H18ClF2N3OS/c1-3-8-21(9-4-2)16(23)22-10-11(17)15(20-22)24-13-7-5-6-12(18)14(13)19/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyVGWSAXIGMPLLJA-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.06
Rot. Bonds6

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

4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide (PubChem CID 19931867) has the molecular formula C16H18ClF2N3OS and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide
PubChem CID19931867
Molecular FormulaC16H18ClF2N3OS
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Name4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide
SMILESCCCN(CCC)C(=O)n1cc(Cl)c(Sc2cccc(F)c2F)n1
InChIInChI=1S/C16H18ClF2N3OS/c1-3-8-21(9-4-2)16(23)22-10-11(17)15(20-22)24-13-7-5-6-12(18)14(13)19/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyVGWSAXIGMPLLJA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide (CID 19931867) is 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide is CCCN(CCC)C(=O)n1cc(Cl)c(Sc2cccc(F)c2F)n1.
What is the InChIKey of 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
The InChIKey is VGWSAXIGMPLLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3OS/c1-3-8-21(9-4-2)16(23)22-10-11(17)15(20-22)24-13-7-5-6-12(18)14(13)19/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 4-chloro-3-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide?
4-chloro-3-(2,3-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-(2,3-difluorophenyl)sulfanyl-N,N-dipropylpyrazole-1-carboxamide is sourced from PubChem (CID 19931867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).