methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate

C15H17N3O3 — CID 18098156

IUPACmethyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18-10-12(9-16-18)15(20)17-13(8-14(19)21-2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,20)
InChIKeyHETWRRJNOIJQEK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.45
Rot. Bonds5

About methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate

methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate (PubChem CID 18098156) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
PubChem CID18098156
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18-10-12(9-16-18)15(20)17-13(8-14(19)21-2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,20)
InChIKeyHETWRRJNOIJQEK-UHFFFAOYSA-N
XLogP1.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-(4-chlorophenyl)-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 38163674
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-methylpyrazole-4-carboxamide
CID 99836717
methyl (3R)-3-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoate
CID 41099386
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl 3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]amino]-3-(4-methylphenyl)propanoate
CID 55775774
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
methyl (3R)-3-phenyl-3-(1,2,5-thiadiazole-3-carbonylamino)propanoate
CID 94149809

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate (CID 18098156) is methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)c1cnn(C)c1)c1ccccc1.
What is the InChIKey of methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is HETWRRJNOIJQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-10-12(9-16-18)15(20)17-13(8-14(19)21-2)11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3,(H,17,20).
What are the key properties of methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate?
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 287.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 18098156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).