methyl 3-amino-5-phenylpyrazole-1-carboxylate

C11H11N3O2 — CID 110868199

IUPACmethyl 3-amino-5-phenylpyrazole-1-carboxylate
SMILESCOC(=O)n1nc(N)cc1-c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)14-9(7-10(12)13-14)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13)
InChIKeyRAZXMXZDJSESFG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.75
Rot. Bonds1

About methyl 3-amino-5-phenylpyrazole-1-carboxylate

methyl 3-amino-5-phenylpyrazole-1-carboxylate (PubChem CID 110868199) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 3-amino-5-phenylpyrazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-phenylpyrazole-1-carboxylate
PubChem CID110868199
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 3-amino-5-phenylpyrazole-1-carboxylate
SMILESCOC(=O)n1nc(N)cc1-c1ccccc1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)14-9(7-10(12)13-14)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13)
InChIKeyRAZXMXZDJSESFG-UHFFFAOYSA-N
XLogP1.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-5-phenylpyrazol-1-yl)ethanone
CID 110868177
1-(3-amino-5-phenylpyrazol-1-yl)butan-1-one
CID 110868180
(3-amino-5-phenylpyrazol-1-yl)-cyclobutylmethanone
CID 110868208
ethyl 3-[3-(1-ethoxycarbonyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole-1-carboxylate
CID 118529532
methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 11099694
3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
CID 5309448
tert-butyl 3-amino-5-[4-(3,5-difluorophenoxy)phenyl]pyrazole-1-carboxylate
CID 177360082
methyl 3-phenylphenanthro[9,10-c]pyrazole-2-carboxylate
CID 134820764
[3-amino-5-(4-chlorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175914383
[3-amino-5-(4-fluorophenyl)pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175914386
methyl 5-amino-3-methylpyrazole-1-carboxylate
CID 110459451
methyl 3-amino-4-chloroindazole-2-carboxylate
CID 54205008

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-phenylpyrazole-1-carboxylate?
The IUPAC name of methyl 3-amino-5-phenylpyrazole-1-carboxylate (CID 110868199) is methyl 3-amino-5-phenylpyrazole-1-carboxylate.
What is the SMILES notation for methyl 3-amino-5-phenylpyrazole-1-carboxylate?
The canonical SMILES for methyl 3-amino-5-phenylpyrazole-1-carboxylate is COC(=O)n1nc(N)cc1-c1ccccc1.
What is the InChIKey of methyl 3-amino-5-phenylpyrazole-1-carboxylate?
The InChIKey is RAZXMXZDJSESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)14-9(7-10(12)13-14)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13).
What are the key properties of methyl 3-amino-5-phenylpyrazole-1-carboxylate?
methyl 3-amino-5-phenylpyrazole-1-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-phenylpyrazole-1-carboxylate is sourced from PubChem (CID 110868199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).