1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide

C17H20FN3O2 — CID 96529236

IUPAC1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCn1cc([C@@H](O)CNC(=O)C2(c3cccc(F)c3)CCC2)cn1
InChIInChI=1S/C17H20FN3O2/c1-21-11-12(9-20-21)15(22)10-19-16(23)17(6-3-7-17)13-4-2-5-14(18)8-13/h2,4-5,8-9,11,15,22H,3,6-7,10H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyCZZKZTHCHODBFU-HNNXBMFYSA-N
MW317.36 g/mol
LogP1.83
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 96529236) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID96529236
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCn1cc([C@@H](O)CNC(=O)C2(c3cccc(F)c3)CCC2)cn1
InChIInChI=1S/C17H20FN3O2/c1-21-11-12(9-20-21)15(22)10-19-16(23)17(6-3-7-17)13-4-2-5-14(18)8-13/h2,4-5,8-9,11,15,22H,3,6-7,10H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyCZZKZTHCHODBFU-HNNXBMFYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclobutane-1-carboxamide
CID 111791701
1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
CID 111791814
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
1-(3-fluorophenyl)-N-[2-hydroxy-2-(oxan-4-yl)ethyl]cyclobutane-1-carboxamide
CID 71977317
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)cyclopropane-1-carboxamide
CID 111386384
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide (CID 96529236) is 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide is Cn1cc([C@@H](O)CNC(=O)C2(c3cccc(F)c3)CCC2)cn1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is CZZKZTHCHODBFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-21-11-12(9-20-21)15(22)10-19-16(23)17(6-3-7-17)13-4-2-5-14(18)8-13/h2,4-5,8-9,11,15,22H,3,6-7,10H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 96529236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).