methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate

C19H18N4O3 — CID 5082644

IUPACmethyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(Nc2ccccc2)nn(C(=O)Cc2ccccc2)c1N
InChIInChI=1S/C19H18N4O3/c1-26-19(25)16-17(20)23(15(24)12-13-8-4-2-5-9-13)22-18(16)21-14-10-6-3-7-11-14/h2-11H,12,20H2,1H3,(H,21,22)
InChIKeyBTGJYRCHHNBANZ-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.88
Rot. Bonds5

About methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate

methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate (PubChem CID 5082644) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate
PubChem CID5082644
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(Nc2ccccc2)nn(C(=O)Cc2ccccc2)c1N
InChIInChI=1S/C19H18N4O3/c1-26-19(25)16-17(20)23(15(24)12-13-8-4-2-5-9-13)22-18(16)21-14-10-6-3-7-11-14/h2-11H,12,20H2,1H3,(H,21,22)
InChIKeyBTGJYRCHHNBANZ-UHFFFAOYSA-N
XLogP2.88
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
CID 95561624
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812
methanesulfonic acid;methyl 2,6-dianilino-4,5-dimethylpyridine-3-carboxylate
CID 162317201
N'-(5-amino-6-anilinopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19147712
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371
methyl 2-[(5-amino-6-anilinopyrimidin-4-yl)amino]benzoate
CID 19146204
3-methoxycarbonyl-4-phenylmethoxypyrazole-1-carboxylic acid
CID 91402164
ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
methyl 1-benzyl-1,2,4-triazole-3-carboxylate
CID 67023628
methyl 5-amino-3-(ethylamino)-1-(2-fluorophenyl)pyrazole-4-carboxylate
CID 102808285
methyl 6-anilino-2-chloro-5-nitropyrimidine-4-carboxylate
CID 57474557

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate (CID 5082644) is methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate is COC(=O)c1c(Nc2ccccc2)nn(C(=O)Cc2ccccc2)c1N.
What is the InChIKey of methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate?
The InChIKey is BTGJYRCHHNBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-19(25)16-17(20)23(15(24)12-13-8-4-2-5-9-13)22-18(16)21-14-10-6-3-7-11-14/h2-11H,12,20H2,1H3,(H,21,22).
What are the key properties of methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate?
methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-anilino-1-(2-phenylacetyl)pyrazole-4-carboxylate is sourced from PubChem (CID 5082644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).