4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide

C16H22F2N4O3 — CID 138994791

IUPAC4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccn(CC(=O)N2CCOCC2)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N4O3/c17-16(18)4-1-12(2-5-16)15(24)19-13-3-6-22(20-13)11-14(23)21-7-9-25-10-8-21/h3,6,12H,1-2,4-5,7-11H2,(H,19,20,24)
InChIKeyIBVQBQIEGSDXCN-UHFFFAOYSA-N
MW356.37 g/mol
LogP1.51
Rot. Bonds4

About 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide

4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 138994791) has the molecular formula C16H22F2N4O3 and a molecular weight of 356.37 g/mol. Its IUPAC name is 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID138994791
Molecular FormulaC16H22F2N4O3
Molecular Weight356.37 g/mol
Exact Mass356.17
IUPAC Name4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccn(CC(=O)N2CCOCC2)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N4O3/c17-16(18)4-1-12(2-5-16)15(24)19-13-3-6-22(20-13)11-14(23)21-7-9-25-10-8-21/h3,6,12H,1-2,4-5,7-11H2,(H,19,20,24)
InChIKeyIBVQBQIEGSDXCN-UHFFFAOYSA-N
XLogP1.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]anthracene-9-carboxamide
CID 167772605
1-morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
1-morpholin-4-yl-2-[3-[1-(1,3-thiazol-2-yl)ethylamino]pyrazol-1-yl]ethanone
CID 167803536
2-[3-(thiane-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 120524678
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
2-[3-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125153290
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119230903
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[2-(2-fluorophenyl)ethyl]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 55738783
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(oxan-4-yl)piperidine-1-carboxamide
CID 136562643
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286658

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide (CID 138994791) is 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide is O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The InChIKey is IBVQBQIEGSDXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O3/c17-16(18)4-1-12(2-5-16)15(24)19-13-3-6-22(20-13)11-14(23)21-7-9-25-10-8-21/h3,6,12H,1-2,4-5,7-11H2,(H,19,20,24).
What are the key properties of 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138994791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).