methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate

C18H23N3O3 — CID 97213236

IUPACmethyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
SMILESCC[C@](NC(=O)c1ccn(C(C)C)n1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-5-18(17(23)24-4,14-9-7-6-8-10-14)19-16(22)15-11-12-21(20-15)13(2)3/h6-13H,5H2,1-4H3,(H,19,22)/t18-/m1/s1
InChIKeyHMGMQZRVQVAUAX-GOSISDBHSA-N
MW329.40 g/mol
LogP2.67
Rot. Bonds6

About methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate

methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate (PubChem CID 97213236) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
PubChem CID97213236
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
SMILESCC[C@](NC(=O)c1ccn(C(C)C)n1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-5-18(17(23)24-4,14-9-7-6-8-10-14)19-16(22)15-11-12-21(20-15)13(2)3/h6-13H,5H2,1-4H3,(H,19,22)/t18-/m1/s1
InChIKeyHMGMQZRVQVAUAX-GOSISDBHSA-N
XLogP2.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate (CID 97213236) is methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate is CC[C@](NC(=O)c1ccn(C(C)C)n1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
The InChIKey is HMGMQZRVQVAUAX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-18(17(23)24-4,14-9-7-6-8-10-14)19-16(22)15-11-12-21(20-15)13(2)3/h6-13H,5H2,1-4H3,(H,19,22)/t18-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate has a molecular weight of 329.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate is sourced from PubChem (CID 97213236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).