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

C15H22ClF3N4O2 — CID 3794829

IUPAC3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide
SMILESCn1nc(C(F)(F)F)c(CNC(=O)C(C)(C)CCl)c1N1CCOCC1
InChIInChI=1S/C15H22ClF3N4O2/c1-14(2,9-16)13(24)20-8-10-11(15(17,18)19)21-22(3)12(10)23-4-6-25-7-5-23/h4-9H2,1-3H3,(H,20,24)
InChIKeyWSKUBHDTJUHRAM-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.16
Rot. Bonds5

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

3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide (PubChem CID 3794829) has the molecular formula C15H22ClF3N4O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide
PubChem CID3794829
Molecular FormulaC15H22ClF3N4O2
Molecular Weight382.81 g/mol
Exact Mass382.14
IUPAC Name3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide
SMILESCn1nc(C(F)(F)F)c(CNC(=O)C(C)(C)CCl)c1N1CCOCC1
InChIInChI=1S/C15H22ClF3N4O2/c1-14(2,9-16)13(24)20-8-10-11(15(17,18)19)21-22(3)12(10)23-4-6-25-7-5-23/h4-9H2,1-3H3,(H,20,24)
InChIKeyWSKUBHDTJUHRAM-UHFFFAOYSA-N
XLogP2.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide (CID 3794829) is 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide is Cn1nc(C(F)(F)F)c(CNC(=O)C(C)(C)CCl)c1N1CCOCC1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide?
The InChIKey is WSKUBHDTJUHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N4O2/c1-14(2,9-16)13(24)20-8-10-11(15(17,18)19)21-22(3)12(10)23-4-6-25-7-5-23/h4-9H2,1-3H3,(H,20,24).
What are the key properties of 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide?
3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide has a molecular weight of 382.81 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 3794829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).