methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate

C11H12N4O2 — CID 107344499

IUPACmethyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccccn2)cc1N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)10-9(12)7-15(14-10)6-8-4-2-3-5-13-8/h2-5,7H,6,12H2,1H3
InChIKeyIZEVEBLXJUYTDB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.70
Rot. Bonds3

About methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate

methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate (PubChem CID 107344499) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate
PubChem CID107344499
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namemethyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccccn2)cc1N
InChIInChI=1S/C11H12N4O2/c1-17-11(16)10-9(12)7-15(14-10)6-8-4-2-3-5-13-8/h2-5,7H,6,12H2,1H3
InChIKeyIZEVEBLXJUYTDB-UHFFFAOYSA-N
XLogP0.70
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate
CID 107344753
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
methyl 4-amino-1-[(3-hydroxyphenyl)methyl]pyrazole-3-carboxylate
CID 107344709
methyl 4-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344693
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
methyl 4-amino-1-(2-phenylsulfanylethyl)pyrazole-3-carboxylate
CID 107344747
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344628
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
methyl 4-amino-1-[(2-bromo-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344394

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate (CID 107344499) is methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate is COC(=O)c1nn(Cc2ccccn2)cc1N.
What is the InChIKey of methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate?
The InChIKey is IZEVEBLXJUYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11(16)10-9(12)7-15(14-10)6-8-4-2-3-5-13-8/h2-5,7H,6,12H2,1H3.
What are the key properties of methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).