3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride

C32H37Cl3F6N8O2S2 — CID 161136359

IUPAC3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride
SMILESCCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.O=C(Cl)CCSCCC(F)(F)F
InChIInChI=1S/C16H18ClF3N4OS.C10H11ClN4.C6H8ClF3OS/c1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;7-5(11)1-3-12-4-2-6(8,9)10/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-7,13H,2H2,1H3;1-4H2
InChIKeyUMVSVXKVMYGNOA-UHFFFAOYSA-N
MW850.18 g/mol
LogP9.53
Rot. Bonds16

About 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride

3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride (PubChem CID 161136359) has the molecular formula C32H37Cl3F6N8O2S2 and a molecular weight of 850.18 g/mol. Its IUPAC name is 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride.

Molecular Properties

Compound Name3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride
PubChem CID161136359
Molecular FormulaC32H37Cl3F6N8O2S2
Molecular Weight850.18 g/mol
Exact Mass848.15
IUPAC Name3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride
SMILESCCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.O=C(Cl)CCSCCC(F)(F)F
InChIInChI=1S/C16H18ClF3N4OS.C10H11ClN4.C6H8ClF3OS/c1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;7-5(11)1-3-12-4-2-6(8,9)10/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-7,13H,2H2,1H3;1-4H2
InChIKeyUMVSVXKVMYGNOA-UHFFFAOYSA-N
XLogP9.53
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.18
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-3-((3,3,3-trifluoropropyl)thio)propanamide
CID 86700584
Tyclopyrazoflor
CID 86700627
N-(3-chloro-1-(pyridin-3-yl)-1H-pyrazol-4-yl)-N-ethyl-4,4,4-trifluoro-3-(methylthio)butanamide
CID 67499830
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)propanamide
CID 86700572
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,2-trifluoroethylsulfanyl)propanamide
CID 86700574
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(ethylcarbamoyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 86700585
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide
CID 86700612
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide
CID 86700613
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylpropanamide
CID 86700615
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-N-ethylpropanamide
CID 86700643
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide
CID 86700653
S-(3,3,3-trifluoropropyl) 4-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-4-oxobutanethioate
CID 86700933

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?
The IUPAC name of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride (CID 161136359) is 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride.
What is the SMILES notation for 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?
The canonical SMILES for 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride is CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCNc1cn(-c2cccnc2)nc1Cl.O=C(Cl)CCSCCC(F)(F)F.
What is the InChIKey of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?
The InChIKey is UMVSVXKVMYGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4OS.C10H11ClN4.C6H8ClF3OS/c1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-13-9-7-15(14-10(9)11)8-4-3-5-12-6-8;7-5(11)1-3-12-4-2-6(8,9)10/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-7,13H,2H2,1H3;1-4H2.
What are the key properties of 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride?
3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride has a molecular weight of 850.18 g/mol, XLogP of 9.53, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-1-pyridin-3-ylpyrazol-4-amine;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;3-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride is sourced from PubChem (CID 161136359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).