methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate

C15H18N4O3 — CID 120667703

IUPACmethyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(NC(=O)C(N)c2ccc(C)cc2)n1
InChIInChI=1S/C15H18N4O3/c1-10-3-5-11(6-4-10)14(16)15(21)17-12-7-8-19(18-12)9-13(20)22-2/h3-8,14H,9,16H2,1-2H3,(H,17,18,21)
InChIKeyZNEMSKWSDGYNIJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.00
Rot. Bonds5

About methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate

methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate (PubChem CID 120667703) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate
PubChem CID120667703
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1ccc(NC(=O)C(N)c2ccc(C)cc2)n1
InChIInChI=1S/C15H18N4O3/c1-10-3-5-11(6-4-10)14(16)15(21)17-12-7-8-19(18-12)9-13(20)22-2/h3-8,14H,9,16H2,1-2H3,(H,17,18,21)
InChIKeyZNEMSKWSDGYNIJ-UHFFFAOYSA-N
XLogP1.00
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-[(3-amino-3-phenylpropanoyl)amino]pyrazol-1-yl]acetate
CID 119950382
methyl 3-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]propanoate;hydrochloride
CID 120668297
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
methyl 2-[3-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoylamino]pyrazol-1-yl]acetate
CID 122150516
methyl 2-[2-amino-2-(4-methylphenyl)ethyl]sulfanylacetate
CID 64615416
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
2-amino-2-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)acetamide;dihydrochloride
CID 120670649
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 5303395
2-amino-2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 106312703
2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 120667956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate (CID 120667703) is methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate is COC(=O)Cn1ccc(NC(=O)C(N)c2ccc(C)cc2)n1.
What is the InChIKey of methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate?
The InChIKey is ZNEMSKWSDGYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-3-5-11(6-4-10)14(16)15(21)17-12-7-8-19(18-12)9-13(20)22-2/h3-8,14H,9,16H2,1-2H3,(H,17,18,21).
What are the key properties of methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate?
methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 120667703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).