methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate

C13H16N4O2 — CID 102808113

IUPACmethyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
SMILESCCNc1nn(-c2ccccc2)c(N)c1C(=O)OC
InChIInChI=1S/C13H16N4O2/c1-3-15-12-10(13(18)19-2)11(14)17(16-12)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3,(H,15,16)
InChIKeyTWVKIUCBUJWVNG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.67
Rot. Bonds4

About methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate

methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate (PubChem CID 102808113) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
PubChem CID102808113
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
SMILESCCNc1nn(-c2ccccc2)c(N)c1C(=O)OC
InChIInChI=1S/C13H16N4O2/c1-3-15-12-10(13(18)19-2)11(14)17(16-12)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3,(H,15,16)
InChIKeyTWVKIUCBUJWVNG-UHFFFAOYSA-N
XLogP1.67
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-3-(2-methoxyethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808106
methyl 5-amino-3-(ethylamino)-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808930
methyl 5-amino-3-(ethylamino)-1-(2-fluorophenyl)pyrazole-4-carboxylate
CID 102808285
methyl 5-amino-1-(4-chloro-3-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102809172
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102809243
methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102808420
methyl 5-amino-3-methylsulfonyl-1-phenylpyrazole-4-carboxylate
CID 134094759
ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812
methyl 5-amino-1-(4-bromophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102808968
methyl 5-amino-3-(ethylamino)-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 102809042
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate (CID 102808113) is methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate is CCNc1nn(-c2ccccc2)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate?
The InChIKey is TWVKIUCBUJWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-15-12-10(13(18)19-2)11(14)17(16-12)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate?
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 102808113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).