N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide

C19H26FN3OS — CID 143618482

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide
SMILESCc1ccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F
InChIInChI=1S/C19H26FN3OS/c1-12-8-9-13(10-14(12)20)25-19(5,6)17(24)21-16-11-15(18(2,3)4)22-23(16)7/h8-11H,1-7H3,(H,21,24)
InChIKeyHVDKKCDPDSEDRQ-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.67
Rot. Bonds4

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide (PubChem CID 143618482) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide
PubChem CID143618482
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide
SMILESCc1ccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F
InChIInChI=1S/C19H26FN3OS/c1-12-8-9-13(10-14(12)20)25-19(5,6)17(24)21-16-11-15(18(2,3)4)22-23(16)7/h8-11H,1-7H3,(H,21,24)
InChIKeyHVDKKCDPDSEDRQ-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 24856071
3-tert-butyl-N-[3-(4-chloro-2-fluorophenyl)sulfanyl-3-methylbut-1-en-2-yl]-1-methylpyrazol-5-amine
CID 70665996
2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-5-methylsulfanylbenzoic acid
CID 69277054
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406116
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide;2-(2,4-difluorophenyl)sulfonyl-N-isoquinolin-3-yl-2-methylpropanamide
CID 68857257
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42732985
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-chloro-4-methylbenzenesulfonamide
CID 3601933
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]urea
CID 72917481
2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-5-methylbenzoic acid
CID 69276840
3-tert-butyl-1-methyl-N-(2,3,4-trifluorophenyl)pyrazole-5-carboxamide
CID 87023647
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide (CID 143618482) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide is Cc1ccc(SC(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
The InChIKey is HVDKKCDPDSEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3OS/c1-12-8-9-13(10-14(12)20)25-19(5,6)17(24)21-16-11-15(18(2,3)4)22-23(16)7/h8-11H,1-7H3,(H,21,24).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide has a molecular weight of 363.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methylphenyl)sulfanyl-2-methylpropanamide is sourced from PubChem (CID 143618482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).