methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate

C15H18N4O3 — CID 119950382

IUPACmethyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(NC(=O)CC(N)c2ccccc2)n1
InChIInChI=1S/C15H18N4O3/c1-22-15(21)10-19-8-7-13(18-19)17-14(20)9-12(16)11-5-3-2-4-6-11/h2-8,12H,9-10,16H2,1H3,(H,17,18,20)
InChIKeyLWMDLAWYHHPQRV-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.08
Rot. Bonds6

About methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate

methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate (PubChem CID 119950382) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
PubChem CID119950382
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(NC(=O)CC(N)c2ccccc2)n1
InChIInChI=1S/C15H18N4O3/c1-22-15(21)10-19-8-7-13(18-19)17-14(20)9-12(16)11-5-3-2-4-6-11/h2-8,12H,9-10,16H2,1H3,(H,17,18,20)
InChIKeyLWMDLAWYHHPQRV-UHFFFAOYSA-N
XLogP1.08
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate
CID 120667703
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
methyl 2-[3-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoylamino]pyrazol-1-yl]acetate
CID 122150516
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
CID 119949012
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]-1H-1,2,4-triazol-5-yl]acetate
CID 119950194
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
methyl 2-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride
CID 119742280
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide
CID 154878015
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
CID 119231284
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate (CID 119950382) is methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate is COC(=O)Cn1ccc(NC(=O)CC(N)c2ccccc2)n1.
What is the InChIKey of methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate?
The InChIKey is LWMDLAWYHHPQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-15(21)10-19-8-7-13(18-19)17-14(20)9-12(16)11-5-3-2-4-6-11/h2-8,12H,9-10,16H2,1H3,(H,17,18,20).
What are the key properties of methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate?
methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 119950382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).