1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H25F3N4O2 — CID 87008809

IUPAC1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H25F3N4O2/c1-11(2)8-12(23-4-6-25-7-5-23)9-20-15(24)13-10-22(3)21-14(13)16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,24)
InChIKeyLFXCTEQPAKTBDB-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.92
Rot. Bonds6

About 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008809) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008809
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC Name1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)CC(CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H25F3N4O2/c1-11(2)8-12(23-4-6-25-7-5-23)9-20-15(24)13-10-22(3)21-14(13)16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,24)
InChIKeyLFXCTEQPAKTBDB-UHFFFAOYSA-N
XLogP1.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008809) is 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)CC(CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LFXCTEQPAKTBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-11(2)8-12(23-4-6-25-7-5-23)9-20-15(24)13-10-22(3)21-14(13)16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,24).
What are the key properties of 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).