N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide

C14H16FN3OS — CID 71972398

IUPACN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCSCc1cc(F)ccc1CNC(=O)c1cnn(C)c1
InChIInChI=1S/C14H16FN3OS/c1-18-8-12(7-17-18)14(19)16-6-10-3-4-13(15)5-11(10)9-20-2/h3-5,7-8H,6,9H2,1-2H3,(H,16,19)
InChIKeyFWXQDPQMFUWNMG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.35
Rot. Bonds5

About N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide

N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 71972398) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID71972398
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCSCc1cc(F)ccc1CNC(=O)c1cnn(C)c1
InChIInChI=1S/C14H16FN3OS/c1-18-8-12(7-17-18)14(19)16-6-10-3-4-13(15)5-11(10)9-20-2/h3-5,7-8H,6,9H2,1-2H3,(H,16,19)
InChIKeyFWXQDPQMFUWNMG-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 154750113
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 167876967
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
N-[[2-(dimethylamino)-4-methylphenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 71922829
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
2-(4-fluoro-2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 114347242
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 167858795
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474621
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide (CID 71972398) is N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide is CSCc1cc(F)ccc1CNC(=O)c1cnn(C)c1.
What is the InChIKey of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FWXQDPQMFUWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-18-8-12(7-17-18)14(19)16-6-10-3-4-13(15)5-11(10)9-20-2/h3-5,7-8H,6,9H2,1-2H3,(H,16,19).
What are the key properties of N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71972398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).