methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate

C13H13N3O4 — CID 4276595

IUPACmethyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C(=O)c2ccccc2OC)c1N
InChIInChI=1S/C13H13N3O4/c1-19-10-6-4-3-5-8(10)12(17)16-11(14)9(7-15-16)13(18)20-2/h3-7H,14H2,1-2H3
InChIKeyFZMBSQRLZNHZRJ-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.95
Rot. Bonds3

About methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate

methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate (PubChem CID 4276595) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate
PubChem CID4276595
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namemethyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C(=O)c2ccccc2OC)c1N
InChIInChI=1S/C13H13N3O4/c1-19-10-6-4-3-5-8(10)12(17)16-11(14)9(7-15-16)13(18)20-2/h3-7H,14H2,1-2H3
InChIKeyFZMBSQRLZNHZRJ-UHFFFAOYSA-N
XLogP0.95
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
ethyl 5-[(4-methoxybenzoyl)amino]-1-{2-[(4-methoxybenzoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 12005146
methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)-1H-pyrazole-4-carboxylate
CID 3244392
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 24791138
2,6-dimethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 2808890
2-methoxy-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793839
N-{1-[1-(2,2-dimethylpropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24817189
N-[1-(1-cyclohexyl-4-piperidinyl)-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 42515813
Methyl 3-amino-1-(3,5-dimethoxybenzoyl)pyrazole-4-carboxylate
CID 5083048
N-(2-(5-(3-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2-methoxybenzamide
CID 40908770
N-(2-(5-(2-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-2-methoxybenzamide
CID 42391279
N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2-methoxybenzamide
CID 51098821

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate (CID 4276595) is methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate is COC(=O)c1cnn(C(=O)c2ccccc2OC)c1N.
What is the InChIKey of methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate?
The InChIKey is FZMBSQRLZNHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-10-6-4-3-5-8(10)12(17)16-11(14)9(7-15-16)13(18)20-2/h3-7H,14H2,1-2H3.
What are the key properties of methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate?
methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2-methoxybenzoyl)pyrazole-4-carboxylate is sourced from PubChem (CID 4276595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).