ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate

C12H14N4O3 — CID 67053258

IUPACethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)nc2)c1N
InChIInChI=1S/C12H14N4O3/c1-3-19-12(17)9-7-15-16(11(9)13)8-4-5-10(18-2)14-6-8/h4-7H,3,13H2,1-2H3
InChIKeyIIHQIAQJEWNUDP-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.03
Rot. Bonds4

About ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate (PubChem CID 67053258) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
PubChem CID67053258
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)nc2)c1N
InChIInChI=1S/C12H14N4O3/c1-3-19-12(17)9-7-15-16(11(9)13)8-4-5-10(18-2)14-6-8/h4-7H,3,13H2,1-2H3
InChIKeyIIHQIAQJEWNUDP-UHFFFAOYSA-N
XLogP1.03
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
CID 83808189
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate
CID 625309
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
ethyl 5-amino-1-[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363406
ethyl 5-amino-1-[4-[(3-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363338
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363328

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate (CID 67053258) is ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(OC)nc2)c1N.
What is the InChIKey of ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is IIHQIAQJEWNUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-19-12(17)9-7-15-16(11(9)13)8-4-5-10(18-2)14-6-8/h4-7H,3,13H2,1-2H3.
What are the key properties of ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 67053258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).