methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate

C11H18N4O4 — CID 107344614

IUPACmethyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate
SMILESCOCC(C)NC(=O)Cn1cc(N)c(C(=O)OC)n1
InChIInChI=1S/C11H18N4O4/c1-7(6-18-2)13-9(16)5-15-4-8(12)10(14-15)11(17)19-3/h4,7H,5-6,12H2,1-3H3,(H,13,16)
InChIKeyVDOQHVPZVLADCH-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.60
Rot. Bonds6

About methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate

methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate (PubChem CID 107344614) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate
PubChem CID107344614
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Namemethyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate
SMILESCOCC(C)NC(=O)Cn1cc(N)c(C(=O)OC)n1
InChIInChI=1S/C11H18N4O4/c1-7(6-18-2)13-9(16)5-15-4-8(12)10(14-15)11(17)19-3/h4,7H,5-6,12H2,1-3H3,(H,13,16)
InChIKeyVDOQHVPZVLADCH-UHFFFAOYSA-N
XLogP-0.60
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrazole-3-carboxylate
CID 107344698
methyl 4-amino-1-(2-amino-2-oxoethyl)pyrazole-3-carboxylate
CID 107344544
methyl 4-amino-1-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344720
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
methyl 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 113247997
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
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-phenylsulfanylethyl)pyrazole-3-carboxylate
CID 107344747
ethyl 4-amino-1-[2-(cyanomethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344822
2-methoxyethyl 4-amino-1-ethylpyrazole-3-carboxylate
CID 65363154

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate (CID 107344614) is methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate is COCC(C)NC(=O)Cn1cc(N)c(C(=O)OC)n1.
What is the InChIKey of methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate?
The InChIKey is VDOQHVPZVLADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7(6-18-2)13-9(16)5-15-4-8(12)10(14-15)11(17)19-3/h4,7H,5-6,12H2,1-3H3,(H,13,16).
What are the key properties of methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate?
methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107344614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).