4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C13H18ClF3N4O2 — CID 4769810

IUPAC4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C13H18ClF3N4O2/c1-20-11(13(15,16)17)9(14)10(19-20)12(22)18-3-2-4-21-5-7-23-8-6-21/h2-8H2,1H3,(H,18,22)
InChIKeyLEKXWASBRIRTCY-UHFFFAOYSA-N
MW354.76 g/mol
LogP1.54
Rot. Bonds5

About 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769810) has the molecular formula C13H18ClF3N4O2 and a molecular weight of 354.76 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4769810
Molecular FormulaC13H18ClF3N4O2
Molecular Weight354.76 g/mol
Exact Mass354.11
IUPAC Name4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCN2CCOCC2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C13H18ClF3N4O2/c1-20-11(13(15,16)17)9(14)10(19-20)12(22)18-3-2-4-21-5-7-23-8-6-21/h2-8H2,1H3,(H,18,22)
InChIKeyLEKXWASBRIRTCY-UHFFFAOYSA-N
XLogP1.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4768702
4-chloro-1-methyl-N-(morpholin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767774
4-chloro-1,5-dimethyl-N-[1-(morpholin-4-yl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 4771563
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769854
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4769810) is 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCCCN2CCOCC2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is LEKXWASBRIRTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N4O2/c1-20-11(13(15,16)17)9(14)10(19-20)12(22)18-3-2-4-21-5-7-23-8-6-21/h2-8H2,1H3,(H,18,22).
What are the key properties of 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 354.76 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).