methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate

C15H20N4O2 — CID 102808420

IUPACmethyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
SMILESCCNc1nn(-c2cc(C)ccc2C)c(N)c1C(=O)OC
InChIInChI=1S/C15H20N4O2/c1-5-17-14-12(15(20)21-4)13(16)19(18-14)11-8-9(2)6-7-10(11)3/h6-8H,5,16H2,1-4H3,(H,17,18)
InChIKeySZJQALLAWHZFCN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.29
Rot. Bonds4

About methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate

methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate (PubChem CID 102808420) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
PubChem CID102808420
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate
SMILESCCNc1nn(-c2cc(C)ccc2C)c(N)c1C(=O)OC
InChIInChI=1S/C15H20N4O2/c1-5-17-14-12(15(20)21-4)13(16)19(18-14)11-8-9(2)6-7-10(11)3/h6-8H,5,16H2,1-4H3,(H,17,18)
InChIKeySZJQALLAWHZFCN-UHFFFAOYSA-N
XLogP2.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-3-(ethylamino)-1-(2-fluorophenyl)pyrazole-4-carboxylate
CID 102808285
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
methyl 5-amino-3-(ethylamino)-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808930
methyl 5-amino-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)pyrazole-4-carboxylate
CID 102809243
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
methyl 5-amino-3-(methylamino)-1-(2,4,6-trimethylphenyl)pyrazole-4-carboxylate
CID 102809021
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
CID 102808304
methyl 5-tert-butyl-1-(2,5-dimethylphenyl)pyrazole-3-carboxylate
CID 62876140
methyl 5-amino-3-(2-methoxyethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808106
methyl 5-amino-3-(ethylamino)-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 102809042
ethyl 5-amino-1-(2,5-dimethylphenyl)-6-oxo-1,2,4-triazine-3-carboxylate
CID 101344073
methyl 5-amino-1-(2-bromophenyl)-3-(methylamino)pyrazole-4-carboxylate
CID 102808592

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate (CID 102808420) is methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate is CCNc1nn(-c2cc(C)ccc2C)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate?
The InChIKey is SZJQALLAWHZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-17-14-12(15(20)21-4)13(16)19(18-14)11-8-9(2)6-7-10(11)3/h6-8H,5,16H2,1-4H3,(H,17,18).
What are the key properties of methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate?
methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2,5-dimethylphenyl)-3-(ethylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 102808420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).