N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide

C16H18FN3OS — CID 71808590

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCn1nc(CNC(=O)CSc2ccc(F)cc2)cc1C1CC1
InChIInChI=1S/C16H18FN3OS/c1-20-15(11-2-3-11)8-13(19-20)9-18-16(21)10-22-14-6-4-12(17)5-7-14/h4-8,11H,2-3,9-10H2,1H3,(H,18,21)
InChIKeyBFNWJBRROHVRCD-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.85
Rot. Bonds6

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 71808590) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID71808590
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCn1nc(CNC(=O)CSc2ccc(F)cc2)cc1C1CC1
InChIInChI=1S/C16H18FN3OS/c1-20-15(11-2-3-11)8-13(19-20)9-18-16(21)10-22-14-6-4-12(17)5-7-14/h4-8,11H,2-3,9-10H2,1H3,(H,18,21)
InChIKeyBFNWJBRROHVRCD-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 71808590) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide is Cn1nc(CNC(=O)CSc2ccc(F)cc2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is BFNWJBRROHVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-20-15(11-2-3-11)8-13(19-20)9-18-16(21)10-22-14-6-4-12(17)5-7-14/h4-8,11H,2-3,9-10H2,1H3,(H,18,21).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 319.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 71808590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).