1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H25F3N4O2 — CID 87008764

IUPAC1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N4O2/c1-23-11-13(14(22-23)17(18,19)20)15(25)21-12-16(5-3-2-4-6-16)24-7-9-26-10-8-24/h11H,2-10,12H2,1H3,(H,21,25)
InChIKeyMHMHUIJUGMEOCD-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.20
Rot. Bonds4

About 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 87008764) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID87008764
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N4O2/c1-23-11-13(14(22-23)17(18,19)20)15(25)21-12-16(5-3-2-4-6-16)24-7-9-26-10-8-24/h11H,2-10,12H2,1H3,(H,21,25)
InChIKeyMHMHUIJUGMEOCD-UHFFFAOYSA-N
XLogP2.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353875
2-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353880
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
[1-(tert-butyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl](morpholino)methanone
CID 3692405
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 53508443
1,3-dimethyl-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrazole-4-carboxamide
CID 97787066
4-[5-(Difluoromethyl)-1-methylpyrazole-4-carbonyl]-3,3-dimethylpiperazin-2-one
CID 138036801
N-(4-cyclohexylbutan-2-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 16042178
(2,6-Dimethylmorpholin-4-yl)-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 56813185
1-methyl-N-(4-methylcyclohexyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008378
1-[N'-[(1E)-3-amino-2-fluorobuta-1,3-dienyl]carbamimidoyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 89214555
2,2,2-trifluoroethyl N-[3,4-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]pentan-2-yl]carbamate
CID 143547545

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 87008764) is 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MHMHUIJUGMEOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-23-11-13(14(22-23)17(18,19)20)15(25)21-12-16(5-3-2-4-6-16)24-7-9-26-10-8-24/h11H,2-10,12H2,1H3,(H,21,25).
What are the key properties of 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87008764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).