methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate

C20H23N3O5 — CID 6734049

IUPACmethyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC3CCOC3=O)cc2)c1C
InChIInChI=1S/C20H23N3O5/c1-12-16(8-9-18(24)27-3)13(2)23(22-12)15-6-4-14(5-7-15)19(25)21-17-10-11-28-20(17)26/h4-7,17H,8-11H2,1-3H3,(H,21,25)
InChIKeyQQTPMZKTVCBNEP-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.64
Rot. Bonds6

About methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate

methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate (PubChem CID 6734049) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
PubChem CID6734049
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Namemethyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC3CCOC3=O)cc2)c1C
InChIInChI=1S/C20H23N3O5/c1-12-16(8-9-18(24)27-3)13(2)23(22-12)15-6-4-14(5-7-15)19(25)21-17-10-11-28-20(17)26/h4-7,17H,8-11H2,1-3H3,(H,21,25)
InChIKeyQQTPMZKTVCBNEP-UHFFFAOYSA-N
XLogP1.64
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 9293084
methyl 3-[1-[4-(dimethylaminocarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9180457
methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 18275290
methyl 3-[1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 46612433
methyl 3-[1-[4-[dicyclopropylmethyl(methyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 49343257
methyl 3-[1-[4-[[4-(2,6-dioxopiperidin-1-yl)phenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 55706159
(2-amino-2-oxoethyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 9065250
methyl 3-[3,5-dimethyl-1-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]propanoate
CID 55383468
methyl 3-[1-[4-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9470585
methyl 3-[1-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 26312265
3-[3,5-dimethyl-1-[4-[[(1R,2R)-2-methylcyclopropyl]carbamoyl]phenyl]pyrazol-4-yl]propanoic acid
CID 124690843
methyl 3-[3,5-dimethyl-1-[4-[(2-propan-2-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 18228784

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate (CID 6734049) is methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate is COC(=O)CCc1c(C)nn(-c2ccc(C(=O)NC3CCOC3=O)cc2)c1C.
What is the InChIKey of methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate?
The InChIKey is QQTPMZKTVCBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-12-16(8-9-18(24)27-3)13(2)23(22-12)15-6-4-14(5-7-15)19(25)21-17-10-11-28-20(17)26/h4-7,17H,8-11H2,1-3H3,(H,21,25).
What are the key properties of methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate?
methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate has a molecular weight of 385.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3,5-dimethyl-1-[4-[(2-oxooxolan-3-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate is sourced from PubChem (CID 6734049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).