(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H20F3N5O — CID 67312887

IUPAC(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C16H20F3N5O/c1-23-8-7-14(22-23)20-15(25)12(10-11-4-2-3-5-11)24-9-6-13(21-24)16(17,18)19/h6-9,11-12H,2-5,10H2,1H3,(H,20,22,25)/t12-/m0/s1
InChIKeyFMCCFTNPCNKDLO-LBPRGKRZSA-N
MW355.36 g/mol
LogP3.40
Rot. Bonds5

About (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 67312887) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID67312887
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C16H20F3N5O/c1-23-8-7-14(22-23)20-15(25)12(10-11-4-2-3-5-11)24-9-6-13(21-24)16(17,18)19/h6-9,11-12H,2-5,10H2,1H3,(H,20,22,25)/t12-/m0/s1
InChIKeyFMCCFTNPCNKDLO-LBPRGKRZSA-N
XLogP3.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 67312887) is (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is FMCCFTNPCNKDLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-23-8-7-14(22-23)20-15(25)12(10-11-4-2-3-5-11)24-9-6-13(21-24)16(17,18)19/h6-9,11-12H,2-5,10H2,1H3,(H,20,22,25)/t12-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 355.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 67312887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).