4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide

C16H23F3N4O2 — CID 126801825

IUPAC4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide
SMILESCn1cc(CNC(=O)C2COCCN2CC2CCC2)c(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N4O2/c1-22-9-12(14(21-22)16(17,18)19)7-20-15(24)13-10-25-6-5-23(13)8-11-3-2-4-11/h9,11,13H,2-8,10H2,1H3,(H,20,24)
InChIKeyYXOXXUBIAOWDKB-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.56
Rot. Bonds5

About 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide

4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide (PubChem CID 126801825) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide
PubChem CID126801825
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide
SMILESCn1cc(CNC(=O)C2COCCN2CC2CCC2)c(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N4O2/c1-22-9-12(14(21-22)16(17,18)19)7-20-15(24)13-10-25-6-5-23(13)8-11-3-2-4-11/h9,11,13H,2-8,10H2,1H3,(H,20,24)
InChIKeyYXOXXUBIAOWDKB-UHFFFAOYSA-N
XLogP1.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-({(3S,4R)-3-(dimethylamino)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
CID 91920969
N-{[(3S4R)-3-(Dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL]methyl}-2-methoxyacetamide
CID 91920970
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 138001505
(3S)-4-(2,2-difluoroethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]morpholine-3-carboxamide
CID 164633673
N-(3-methyl-2-morpholin-4-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45805530
N-(2-methyl-2-morpholin-4-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 45819354
N-(4-methyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55527631
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55550660
N-(3-methyl-2-morpholin-4-ylbutyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56303747
4-(difluoromethyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 75394158
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008809
1-methyl-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020403

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide (CID 126801825) is 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide is Cn1cc(CNC(=O)C2COCCN2CC2CCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide?
The InChIKey is YXOXXUBIAOWDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-22-9-12(14(21-22)16(17,18)19)7-20-15(24)13-10-25-6-5-23(13)8-11-3-2-4-11/h9,11,13H,2-8,10H2,1H3,(H,20,24).
What are the key properties of 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide?
4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 126801825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).