2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide

C12H16ClF3N4O2 — CID 4768659

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN1CCOCC1
InChIInChI=1S/C12H16ClF3N4O2/c1-7-9(13)10(12(14,15)16)17-20(7)8(2)11(21)18-19-3-5-22-6-4-19/h8H,3-6H2,1-2H3,(H,18,21)
InChIKeyKHFBEMKEKMFFRZ-UHFFFAOYSA-N
MW340.73 g/mol
LogP1.79
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide (PubChem CID 4768659) has the molecular formula C12H16ClF3N4O2 and a molecular weight of 340.73 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
PubChem CID4768659
Molecular FormulaC12H16ClF3N4O2
Molecular Weight340.73 g/mol
Exact Mass340.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN1CCOCC1
InChIInChI=1S/C12H16ClF3N4O2/c1-7-9(13)10(12(14,15)16)17-20(7)8(2)11(21)18-19-3-5-22-6-4-19/h8H,3-6H2,1-2H3,(H,18,21)
InChIKeyKHFBEMKEKMFFRZ-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide (CID 4768659) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN1CCOCC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
The InChIKey is KHFBEMKEKMFFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N4O2/c1-7-9(13)10(12(14,15)16)17-20(7)8(2)11(21)18-19-3-5-22-6-4-19/h8H,3-6H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide has a molecular weight of 340.73 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-morpholin-4-ylpropanamide is sourced from PubChem (CID 4768659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).