methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate

C7H10N4O3 — CID 107344544

IUPACmethyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(N)=O)cc1N
InChIInChI=1S/C7H10N4O3/c1-14-7(13)6-4(8)2-11(10-6)3-5(9)12/h2H,3,8H2,1H3,(H2,9,12)
InChIKeyZXOZZAHJCJOXQG-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.26
Rot. Bonds3

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

methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate (PubChem CID 107344544) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
PubChem CID107344544
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Namemethyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(CC(N)=O)cc1N
InChIInChI=1S/C7H10N4O3/c1-14-7(13)6-4(8)2-11(10-6)3-5(9)12/h2H,3,8H2,1H3,(H2,9,12)
InChIKeyZXOZZAHJCJOXQG-UHFFFAOYSA-N
XLogP-1.26
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-1-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344720
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
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-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrazole-3-carboxylate
CID 107344698
methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344614
methyl 4-amino-1-(cyclopropylmethoxymethyl)pyrazole-3-carboxylate
CID 107344491
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
methyl 4-amino-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylate
CID 107344499
methyl 4-amino-1-[(3-hydroxyphenyl)methyl]pyrazole-3-carboxylate
CID 107344709
methyl 4-amino-1-(2-phenylsulfanylethyl)pyrazole-3-carboxylate
CID 107344747

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate (CID 107344544) is methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate is COC(=O)c1nn(CC(N)=O)cc1N.
What is the InChIKey of methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate?
The InChIKey is ZXOZZAHJCJOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-14-7(13)6-4(8)2-11(10-6)3-5(9)12/h2H,3,8H2,1H3,(H2,9,12).
What are the key properties of methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).