N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C16H17F3N4OS — CID 98271516

IUPACN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H17F3N4OS/c1-10(11-2-3-11)23-13(6-7-21-23)22-14(24)9-25-15-5-4-12(8-20-15)16(17,18)19/h4-8,10-11H,2-3,9H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyVWOWNFGGZSLSKH-JTQLQIEISA-N
MW370.40 g/mol
LogP4.00
Rot. Bonds6

About N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 98271516) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID98271516
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC NameN-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)CSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H17F3N4OS/c1-10(11-2-3-11)23-13(6-7-21-23)22-14(24)9-25-15-5-4-12(8-20-15)16(17,18)19/h4-8,10-11H,2-3,9H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyVWOWNFGGZSLSKH-JTQLQIEISA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 98271516) is N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is C[C@@H](C1CC1)n1nccc1NC(=O)CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is VWOWNFGGZSLSKH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-10(11-2-3-11)23-13(6-7-21-23)22-14(24)9-25-15-5-4-12(8-20-15)16(17,18)19/h4-8,10-11H,2-3,9H2,1H3,(H,22,24)/t10-/m0/s1.
What are the key properties of N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 370.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 98271516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).