[1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid

C24H26N4O5 — CID 158341783

IUPAC[1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid
SMILESCOc1cccc(C(NC(=O)O)C(=O)Nc2ccc(-c3cnn(C4CCCCO4)c3)cc2)c1
InChIInChI=1S/C24H26N4O5/c1-32-20-6-4-5-17(13-20)22(27-24(30)31)23(29)26-19-10-8-16(9-11-19)18-14-25-28(15-18)21-7-2-3-12-33-21/h4-6,8-11,13-15,21-22,27H,2-3,7,12H2,1H3,(H,26,29)(H,30,31)
InChIKeyGRGFIJAFSDTYQW-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.21
Rot. Bonds7

About [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid

[1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid (PubChem CID 158341783) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid
PubChem CID158341783
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name[1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid
SMILESCOc1cccc(C(NC(=O)O)C(=O)Nc2ccc(-c3cnn(C4CCCCO4)c3)cc2)c1
InChIInChI=1S/C24H26N4O5/c1-32-20-6-4-5-17(13-20)22(27-24(30)31)23(29)26-19-10-8-16(9-11-19)18-14-25-28(15-18)21-7-2-3-12-33-21/h4-6,8-11,13-15,21-22,27H,2-3,7,12H2,1H3,(H,26,29)(H,30,31)
InChIKeyGRGFIJAFSDTYQW-UHFFFAOYSA-N
XLogP4.21
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-3H-isoindol-1-one
CID 162696576
2-(3-methoxyphenyl)-2-[5-[1-(oxan-2-yl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]acetonitrile
CID 162696548
2-[2-(3-methoxyphenyl)-4-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-3-oxo-1,4-diazepan-1-yl]ethyl-methylcarbamic acid
CID 137425505
4-ethyl-3-(3-methoxyphenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1,4-diazepan-2-one
CID 175035179
tert-butyl N-[2-[2-(3-methoxyphenyl)-4-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-3-oxo-1,4-diazepan-1-yl]ethyl]-N-methylcarbamate
CID 153496318
N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094730
(2S)-2-(3-methoxyphenyl)-2-[(2-methyloxane-3-carbonyl)amino]acetic acid
CID 136583903
methyl 3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole-6-carboxylate
CID 166385160
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
4-[1-(oxan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-6-ol
CID 175708982
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid?
The IUPAC name of [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid (CID 158341783) is [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid is COc1cccc(C(NC(=O)O)C(=O)Nc2ccc(-c3cnn(C4CCCCO4)c3)cc2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid?
The InChIKey is GRGFIJAFSDTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-32-20-6-4-5-17(13-20)22(27-24(30)31)23(29)26-19-10-8-16(9-11-19)18-14-25-28(15-18)21-7-2-3-12-33-21/h4-6,8-11,13-15,21-22,27H,2-3,7,12H2,1H3,(H,26,29)(H,30,31).
What are the key properties of [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid?
[1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid has a molecular weight of 450.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-2-[4-[1-(oxan-2-yl)pyrazol-4-yl]anilino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 158341783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).