propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate

C18H23N3O3 — CID 94194144

IUPACpropan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
SMILESCC(C)OC(=O)C[C@H](NC(=O)CCn1cccn1)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-14(2)24-18(23)13-16(15-7-4-3-5-8-15)20-17(22)9-12-21-11-6-10-19-21/h3-8,10-11,14,16H,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPARCBCJLKSIMLO-INIZCTEOSA-N
MW329.40 g/mol
LogP2.47
Rot. Bonds8

About propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate

propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate (PubChem CID 94194144) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
PubChem CID94194144
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namepropan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
SMILESCC(C)OC(=O)C[C@H](NC(=O)CCn1cccn1)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-14(2)24-18(23)13-16(15-7-4-3-5-8-15)20-17(22)9-12-21-11-6-10-19-21/h3-8,10-11,14,16H,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyPARCBCJLKSIMLO-INIZCTEOSA-N
XLogP2.47
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)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

propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
propan-2-yl 3-[[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate
CID 55439761
propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
propan-2-yl 3-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-3-phenylpropanoate
CID 46662323
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate?
The IUPAC name of propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate (CID 94194144) is propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate.
What is the SMILES notation for propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate?
The canonical SMILES for propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate is CC(C)OC(=O)C[C@H](NC(=O)CCn1cccn1)c1ccccc1.
What is the InChIKey of propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate?
The InChIKey is PARCBCJLKSIMLO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(2)24-18(23)13-16(15-7-4-3-5-8-15)20-17(22)9-12-21-11-6-10-19-21/h3-8,10-11,14,16H,9,12-13H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate?
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate has a molecular weight of 329.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate is sourced from PubChem (CID 94194144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).