methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

C17H21N5O5 — CID 11257354

IUPACmethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)CNC(=O)CN)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C17H21N5O5/c1-26-12-5-3-11(4-6-12)10-22-13(17(25)27-2)7-14(21-22)20-16(24)9-19-15(23)8-18/h3-7H,8-10,18H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyIMTPMTZZMGYOOD-UHFFFAOYSA-N
MW375.39 g/mol
LogP-0.26
Rot. Bonds8

About methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (PubChem CID 11257354) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
PubChem CID11257354
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Namemethyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)CNC(=O)CN)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C17H21N5O5/c1-26-12-5-3-11(4-6-12)10-22-13(17(25)27-2)7-14(21-22)20-16(24)9-19-15(23)8-18/h3-7H,8-10,18H2,1-2H3,(H,19,23)(H,20,21,24)
InChIKeyIMTPMTZZMGYOOD-UHFFFAOYSA-N
XLogP-0.26
TPSA137.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 25241935
methyl 3-chlorosulfonyl-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 167348254
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 177360111
ethyl 4-[(3-methoxy-3-oxopropanoyl)amino]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazole-5-carboxylate
CID 140830760
N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 160521682
dimethyl 1-[(4-cyanophenyl)methyl]pyrazole-3,5-dicarboxylate
CID 91103764
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (CID 11257354) is methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is COC(=O)c1cc(NC(=O)CNC(=O)CN)nn1Cc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The InChIKey is IMTPMTZZMGYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-26-12-5-3-11(4-6-12)10-22-13(17(25)27-2)7-14(21-22)20-16(24)9-19-15(23)8-18/h3-7H,8-10,18H2,1-2H3,(H,19,23)(H,20,21,24).
What are the key properties of methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate has a molecular weight of 375.39 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is sourced from PubChem (CID 11257354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).