[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

C23H24N4O4 — CID 8949404

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
SMILESCc1ccc(Cn2cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-14-4-8-17(9-5-14)12-27-13-19(20(26-27)18-10-6-15(2)7-11-18)22(29)31-16(3)21(28)25-23(24)30/h4-11,13,16H,12H2,1-3H3,(H3,24,25,28,30)/t16-/m1/s1
InChIKeyYSWBRWFNHLJGBD-MRXNPFEDSA-N
MW420.47 g/mol
LogP2.96
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate (PubChem CID 8949404) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
PubChem CID8949404
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
SMILESCc1ccc(Cn2cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H24N4O4/c1-14-4-8-17(9-5-14)12-27-13-19(20(26-27)18-10-6-15(2)7-11-18)22(29)31-16(3)21(28)25-23(24)30/h4-11,13,16H,12H2,1-3H3,(H3,24,25,28,30)/t16-/m1/s1
InChIKeyYSWBRWFNHLJGBD-MRXNPFEDSA-N
XLogP2.96
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate 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 (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 9277967
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (E)-3-[1-[(4-methylphenyl)methyl]-3-phenylpyrazol-4-yl]prop-2-enoate
CID 8913846
ethyl 1-benzyl-3-(4-fluorophenyl)pyrazole-4-carboxylate
CID 69209130
[1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate
CID 46791216
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 25478247
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
methyl 3-(difluoromethyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 125461575
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488816
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488815

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate (CID 8949404) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate is Cc1ccc(Cn2cc(C(=O)O[C@H](C)C(=O)NC(N)=O)c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate?
The InChIKey is YSWBRWFNHLJGBD-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-4-8-17(9-5-14)12-27-13-19(20(26-27)18-10-6-15(2)7-11-18)22(29)31-16(3)21(28)25-23(24)30/h4-11,13,16H,12H2,1-3H3,(H3,24,25,28,30)/t16-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 8949404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).