6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C20H24ClN3O2 — CID 91889802

IUPAC6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C20H24ClN3O2/c21-15-9-7-14(8-10-15)19-12-24-17(13-26-19)11-18(23-24)20(25)22-16-5-3-1-2-4-6-16/h7-11,16,19H,1-6,12-13H2,(H,22,25)
InChIKeyOAVTWARSRZTZRE-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.26
Rot. Bonds3

About 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889802) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889802
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C20H24ClN3O2/c21-15-9-7-14(8-10-15)19-12-24-17(13-26-19)11-18(23-24)20(25)22-16-5-3-1-2-4-6-16/h7-11,16,19H,1-6,12-13H2,(H,22,25)
InChIKeyOAVTWARSRZTZRE-UHFFFAOYSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-{[(2,4-dichlorobenzyl)amino]carbonyl}-1-methyl-1H-pyrazole-5-carboxylate
CID 998875
Methyl 5-(2-chlorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475684
6-(4-Chlorophenyl)-N-(4-fluoro-2-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889753
3-tert-butyl-N-[(2S)-3-(3-chlorophenyl)-1-[[(1R,2R)-1-cyano-2-phenylmethoxypropyl]amino]-1-oxopropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162651361
3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71087841
US11072607, Example #5
CID 134607442
6-(4-Chlorophenyl)-N-(3,4-difluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889748
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl][4-(4-fluorophenyl)piperazino]methanone
CID 91889706
6-(4-Chlorophenyl)-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889747
N-(3-Chloro-4-fluorophenyl)-6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889751
6-(4-Chlorophenyl)-N-(3-fluoro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889752
6-(4-Bromophenyl)-N-(2-chloro-5-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889768

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889802) is 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(NC1CCCCCC1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2.
What is the InChIKey of 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is OAVTWARSRZTZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-15-9-7-14(8-10-15)19-12-24-17(13-26-19)11-18(23-24)20(25)22-16-5-3-1-2-4-6-16/h7-11,16,19H,1-6,12-13H2,(H,22,25).
What are the key properties of 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-cycloheptyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).