(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide

C17H22F3N5O — CID 51390583

IUPAC(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1c([C@@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)cnn1C
InChIInChI=1S/C17H22F3N5O/c1-9(13-8-21-24(4)10(13)2)22-16(26)11(3)25-14(12-5-6-12)7-15(23-25)17(18,19)20/h7-9,11-12H,5-6H2,1-4H3,(H,22,26)/t9-,11-/m1/s1
InChIKeyVLVYOIXVWAQTOA-MWLCHTKSSA-N
MW369.39 g/mol
LogP3.26
Rot. Bonds5

About (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide

(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 51390583) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID51390583
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1c([C@@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)cnn1C
InChIInChI=1S/C17H22F3N5O/c1-9(13-8-21-24(4)10(13)2)22-16(26)11(3)25-14(12-5-6-12)7-15(23-25)17(18,19)20/h7-9,11-12H,5-6H2,1-4H3,(H,22,26)/t9-,11-/m1/s1
InChIKeyVLVYOIXVWAQTOA-MWLCHTKSSA-N
XLogP3.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19535063
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536241
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 19534954
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 19535137
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19535072
N-[1-(1-adamantyl)propyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535019
N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534958
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19535194
(2S)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 51390348
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide
CID 19535135
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535108
1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
CID 19625585

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide (CID 51390583) is (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide is Cc1c([C@@H](C)NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C2CC2)cnn1C.
What is the InChIKey of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is VLVYOIXVWAQTOA-MWLCHTKSSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-9(13-8-21-24(4)10(13)2)22-16(26)11(3)25-14(12-5-6-12)7-15(23-25)17(18,19)20/h7-9,11-12H,5-6H2,1-4H3,(H,22,26)/t9-,11-/m1/s1.
What are the key properties of (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide?
(2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 369.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 51390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).