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

C13H13N3O4 — CID 5083046

IUPACmethyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C(=O)c2ccc(OC)cc2)c1N
InChIInChI=1S/C13H13N3O4/c1-19-9-5-3-8(4-6-9)12(17)16-11(14)10(7-15-16)13(18)20-2/h3-7H,14H2,1-2H3
InChIKeyQMZNIXMXNKYZGS-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.95
Rot. Bonds3

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

methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate (PubChem CID 5083046) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate
PubChem CID5083046
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namemethyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C(=O)c2ccc(OC)cc2)c1N
InChIInChI=1S/C13H13N3O4/c1-19-9-5-3-8(4-6-9)12(17)16-11(14)10(7-15-16)13(18)20-2/h3-7H,14H2,1-2H3
InChIKeyQMZNIXMXNKYZGS-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
5-Amino-1-(4-methoxybenzoyl)pyrazole-3,4-dicarbonitrile
CID 945667
methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)-1H-pyrazole-4-carboxylate
CID 3244392
N-[1-(1-cyclobutyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 24816610
4-methoxy-N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817414
N-[2-[1-(1-cyclohex-3-enylmethyl)-4-piperidinyl]-3-pyrazolyl]-4-methoxybenzamide
CID 24793795
4-methoxy-N-[2-(1-pent-4-enoyl-4-piperidyl)pyrazol-3-yl]benzamide
CID 24816612
Methyl 3-amino-1-(3,5-dimethoxybenzoyl)pyrazole-4-carboxylate
CID 5083048
N-(2-cyclopentylpyrazol-3-yl)-4-(difluoromethoxy)benzamide
CID 8819893
3-fluoro-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 18152625
4-ethoxy-N-(1-ethylpyrazol-3-yl)benzamide
CID 35286442

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate (CID 5083046) is methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate is COC(=O)c1cnn(C(=O)c2ccc(OC)cc2)c1N.
What is the InChIKey of methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate?
The InChIKey is QMZNIXMXNKYZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-9-5-3-8(4-6-9)12(17)16-11(14)10(7-15-16)13(18)20-2/h3-7H,14H2,1-2H3.
What are the key properties of methyl 5-amino-1-(4-methoxybenzoyl)pyrazole-4-carboxylate?
methyl 5-amino-1-(4-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-(4-methoxybenzoyl)pyrazole-4-carboxylate is sourced from PubChem (CID 5083046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).