(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H18F3N5O — CID 35536671

IUPAC(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCn1nc(C)cc1NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3N5O/c1-5-21-12(6-8(2)19-21)18-13(23)10(4)22-9(3)7-11(20-22)14(15,16)17/h6-7,10H,5H2,1-4H3,(H,18,23)/t10-/m0/s1
InChIKeyKILCQVONCAQXHV-JTQLQIEISA-N
MW329.33 g/mol
LogP2.93
Rot. Bonds4

About (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 35536671) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID35536671
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCn1nc(C)cc1NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H18F3N5O/c1-5-21-12(6-8(2)19-21)18-13(23)10(4)22-9(3)7-11(20-22)14(15,16)17/h6-7,10H,5H2,1-4H3,(H,18,23)/t10-/m0/s1
InChIKeyKILCQVONCAQXHV-JTQLQIEISA-N
XLogP2.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 35536671) is (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCn1nc(C)cc1NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is KILCQVONCAQXHV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-5-21-12(6-8(2)19-21)18-13(23)10(4)22-9(3)7-11(20-22)14(15,16)17/h6-7,10H,5H2,1-4H3,(H,18,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
(2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 329.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethyl-5-methylpyrazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 35536671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).