N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide

C20H23FN4O3 — CID 46913607

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)C1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C20H23FN4O3/c21-17-4-1-2-5-18(17)25-13-15(12-22-25)23-19(26)14-6-8-16(9-7-14)24-10-3-11-28-20(24)27/h1-2,4-5,12-14,16H,3,6-11H2,(H,23,26)
InChIKeyWVWSGHHBBQLDAS-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.35
Rot. Bonds4

About N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide

N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide (PubChem CID 46913607) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide
PubChem CID46913607
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)C1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C20H23FN4O3/c21-17-4-1-2-5-18(17)25-13-15(12-22-25)23-19(26)14-6-8-16(9-7-14)24-10-3-11-28-20(24)27/h1-2,4-5,12-14,16H,3,6-11H2,(H,23,26)
InChIKeyWVWSGHHBBQLDAS-UHFFFAOYSA-N
XLogP3.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
3-[4-[2-[1-(2-fluorophenyl)pyrazol-3-yl]acetyl]cyclohexyl]-1,3-oxazinan-2-one
CID 158095926
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide
CID 120794110
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 71856412
(2S,5R)-5-(aminomethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120794109
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-[1-(2-fluorophenyl)pyrazol-4-yl]urea
CID 86770951
(3R,4S)-N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933951
3-[1-(2-fluorophenyl)pyrazol-4-yl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397117
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 99821177
N-[1-(2-fluorophenyl)pyrazol-4-yl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71921698

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide (CID 46913607) is N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide is O=C(Nc1cnn(-c2ccccc2F)c1)C1CCC(N2CCCOC2=O)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is WVWSGHHBBQLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c21-17-4-1-2-5-18(17)25-13-15(12-22-25)23-19(26)14-6-8-16(9-7-14)24-10-3-11-28-20(24)27/h1-2,4-5,12-14,16H,3,6-11H2,(H,23,26).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-oxo-1,3-oxazinan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).