(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C16H24ClF3N4O — CID 51390380

IUPAC(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H24ClF3N4O/c1-9(2)23-7-5-12(6-8-23)21-15(25)11(4)24-10(3)13(17)14(22-24)16(18,19)20/h9,11-12H,5-8H2,1-4H3,(H,21,25)/t11-/m0/s1
InChIKeyHURFYUCDEDEQMN-NSHDSACASA-N
MW380.84 g/mol
LogP3.41
Rot. Bonds4

About (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide

(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 51390380) has the molecular formula C16H24ClF3N4O and a molecular weight of 380.84 g/mol. Its IUPAC name is (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID51390380
Molecular FormulaC16H24ClF3N4O
Molecular Weight380.84 g/mol
Exact Mass380.16
IUPAC Name(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C16H24ClF3N4O/c1-9(2)23-7-5-12(6-8-23)21-15(25)11(4)24-10(3)13(17)14(22-24)16(18,19)20/h9,11-12H,5-8H2,1-4H3,(H,21,25)/t11-/m0/s1
InChIKeyHURFYUCDEDEQMN-NSHDSACASA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 51390380) is (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is HURFYUCDEDEQMN-NSHDSACASA-N. The full InChI is InChI=1S/C16H24ClF3N4O/c1-9(2)23-7-5-12(6-8-23)21-15(25)11(4)24-10(3)13(17)14(22-24)16(18,19)20/h9,11-12H,5-8H2,1-4H3,(H,21,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 380.84 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 51390380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).