(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide

C18H21ClF3N5O2S — CID 118027536

IUPAC(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide
SMILESCCN(C(=O)/C(CSCCCC(F)(F)F)=N/OC)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H21ClF3N5O2S/c1-3-26(15-11-27(24-16(15)19)13-6-4-8-23-10-13)17(28)14(25-29-2)12-30-9-5-7-18(20,21)22/h4,6,8,10-11H,3,5,7,9,12H2,1-2H3/b25-14+
InChIKeyKSSFOZGUIHVBRZ-AFUMVMLFSA-N
MW463.91 g/mol
LogP4.35
Rot. Bonds10

About (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide

(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide (PubChem CID 118027536) has the molecular formula C18H21ClF3N5O2S and a molecular weight of 463.91 g/mol. Its IUPAC name is (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide.

Molecular Properties

Compound Name(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide
PubChem CID118027536
Molecular FormulaC18H21ClF3N5O2S
Molecular Weight463.91 g/mol
Exact Mass463.11
IUPAC Name(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide
SMILESCCN(C(=O)/C(CSCCCC(F)(F)F)=N/OC)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H21ClF3N5O2S/c1-3-26(15-11-27(24-16(15)19)13-6-4-8-23-10-13)17(28)14(25-29-2)12-30-9-5-7-18(20,21)22/h4,6,8,10-11H,3,5,7,9,12H2,1-2H3/b25-14+
InChIKeyKSSFOZGUIHVBRZ-AFUMVMLFSA-N
XLogP4.35
TPSA72.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.91
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide 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-ethyl-2-methoxyimino-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(4,4,4-trifluorobutylsulfanyl)propanamide
CID 123651903
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methylimino-3-(4,4,4-trifluorobutylsulfinyl)propanamide
CID 123852373
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methoxyimino-3-(2,2,2-trifluoroethylsulfanyl)propanamide
CID 123206386
[(E)-[1-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-1-oxo-3-(3,3,3-trifluoropropylsulfonyl)propan-2-ylidene]amino] acetate
CID 118027592
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
CID 118023098
(2E)-N-ethyl-2-methoxyimino-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 118027545
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methoxyimino-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 123198411
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-ethoxyimino-N-ethyl-3-sulfanylpropanamide
CID 118021798
(2E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(2,2-difluorocyclopropyl)methylsulfanyl]-2-methoxyimino-N-prop-2-ynylpropanamide
CID 91754457
(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methoxyimino-N-prop-2-ynyl-3-tritylsulfanylpropanamide
CID 118021413
N-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl]-4,4,4-trifluorobutanamide
CID 118023947
(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methoxyimino-3-methylsulfonyl-N-prop-2-ynylpropanamide
CID 72947970

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide?
The IUPAC name of (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide (CID 118027536) is (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide.
What is the SMILES notation for (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide?
The canonical SMILES for (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide is CCN(C(=O)/C(CSCCCC(F)(F)F)=N/OC)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide?
The InChIKey is KSSFOZGUIHVBRZ-AFUMVMLFSA-N. The full InChI is InChI=1S/C18H21ClF3N5O2S/c1-3-26(15-11-27(24-16(15)19)13-6-4-8-23-10-13)17(28)14(25-29-2)12-30-9-5-7-18(20,21)22/h4,6,8,10-11H,3,5,7,9,12H2,1-2H3/b25-14+.
What are the key properties of (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide?
(2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide has a molecular weight of 463.91 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-methoxyimino-3-(4,4,4-trifluorobutylsulfanyl)propanamide is sourced from PubChem (CID 118027536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).