methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate

C12H14N4O3 — CID 107344753

IUPACmethyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2cccnc2OC)cc1N
InChIInChI=1S/C12H14N4O3/c1-18-11-8(4-3-5-14-11)6-16-7-9(13)10(15-16)12(17)19-2/h3-5,7H,6,13H2,1-2H3
InChIKeyPOKRUKKNVJHREK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.70
Rot. Bonds4

About methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate

methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate (PubChem CID 107344753) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate
PubChem CID107344753
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2cccnc2OC)cc1N
InChIInChI=1S/C12H14N4O3/c1-18-11-8(4-3-5-14-11)6-16-7-9(13)10(15-16)12(17)19-2/h3-5,7H,6,13H2,1-2H3
InChIKeyPOKRUKKNVJHREK-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate
CID 107344499
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
methyl 4-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344693
methyl 4-amino-1-[(3-hydroxyphenyl)methyl]pyrazole-3-carboxylate
CID 107344709
methyl 4-amino-1-[(2-bromo-4-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344394
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
methyl 4-amino-1-[(2-chloro-4-cyanophenyl)methyl]pyrazole-3-carboxylate
CID 107344760
methyl 4-amino-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxylate
CID 107344628
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate (CID 107344753) is methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate is COC(=O)c1nn(Cc2cccnc2OC)cc1N.
What is the InChIKey of methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate?
The InChIKey is POKRUKKNVJHREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-11-8(4-3-5-14-11)6-16-7-9(13)10(15-16)12(17)19-2/h3-5,7H,6,13H2,1-2H3.
What are the key properties of methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate?
methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[(2-methoxy-3-pyridinyl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107344753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).