2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide

C14H13ClFN3O2 — CID 97428040

IUPAC2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFN3O2/c15-11-2-1-3-12(16)13(11)14(20)18-9-6-17-19(7-9)10-4-5-21-8-10/h1-3,6-7,10H,4-5,8H2,(H,18,20)/t10-/m0/s1
InChIKeyUVXFNVFRKOEAEW-JTQLQIEISA-N
MW309.73 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide

2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide (PubChem CID 97428040) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
PubChem CID97428040
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFN3O2/c15-11-2-1-3-12(16)13(11)14(20)18-9-6-17-19(7-9)10-4-5-21-8-10/h1-3,6-7,10H,4-5,8H2,(H,18,20)/t10-/m0/s1
InChIKeyUVXFNVFRKOEAEW-JTQLQIEISA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810129
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]thiophene-2-carboxamide
CID 97428073
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
5-(furan-2-yl)-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 97427973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide (CID 97428040) is 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide is O=C(Nc1cnn([C@H]2CCOC2)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is UVXFNVFRKOEAEW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c15-11-2-1-3-12(16)13(11)14(20)18-9-6-17-19(7-9)10-4-5-21-8-10/h1-3,6-7,10H,4-5,8H2,(H,18,20)/t10-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 309.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 97428040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).