2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide

C17H24F2N4O2 — CID 166374177

IUPAC2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide
SMILESO=C(NCC1(F)CN(C(=O)Cc2cn[nH]c2)C1)C(F)C1CCCCC1
InChIInChI=1S/C17H24F2N4O2/c18-15(13-4-2-1-3-5-13)16(25)20-9-17(19)10-23(11-17)14(24)6-12-7-21-22-8-12/h7-8,13,15H,1-6,9-11H2,(H,20,25)(H,21,22)
InChIKeyMXIDJDHEOZMVTP-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.54
Rot. Bonds6

About 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide

2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide (PubChem CID 166374177) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide
PubChem CID166374177
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide
SMILESO=C(NCC1(F)CN(C(=O)Cc2cn[nH]c2)C1)C(F)C1CCCCC1
InChIInChI=1S/C17H24F2N4O2/c18-15(13-4-2-1-3-5-13)16(25)20-9-17(19)10-23(11-17)14(24)6-12-7-21-22-8-12/h7-8,13,15H,1-6,9-11H2,(H,20,25)(H,21,22)
InChIKeyMXIDJDHEOZMVTP-UHFFFAOYSA-N
XLogP1.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932833
4,4-difluoro-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 81932854
1-[3-(1H-Pyrazol-4-YL)piperidin-1-YL]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 86787382
1-[(3S)-3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 97877502
1-[(3R)-3-(1H-pyrazol-4-yl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 97877503
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856220
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103856617
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622445
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834427

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide (CID 166374177) is 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide is O=C(NCC1(F)CN(C(=O)Cc2cn[nH]c2)C1)C(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide?
The InChIKey is MXIDJDHEOZMVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c18-15(13-4-2-1-3-5-13)16(25)20-9-17(19)10-23(11-17)14(24)6-12-7-21-22-8-12/h7-8,13,15H,1-6,9-11H2,(H,20,25)(H,21,22).
What are the key properties of 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide?
2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide has a molecular weight of 354.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-fluoro-N-[[3-fluoro-1-[2-(1H-pyrazol-4-yl)acetyl]azetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 166374177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).