methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate

C20H18N4O3 — CID 46363467

IUPACmethyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(C(=O)N3CCc4ccccc43)cc2)c1N
InChIInChI=1S/C20H18N4O3/c1-27-20(26)16-12-22-24(18(16)21)15-8-6-14(7-9-15)19(25)23-11-10-13-4-2-3-5-17(13)23/h2-9,12H,10-11,21H2,1H3
InChIKeyUWBIGZLWGWSGHY-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.44
Rot. Bonds3

About methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate

methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate (PubChem CID 46363467) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate
PubChem CID46363467
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(C(=O)N3CCc4ccccc43)cc2)c1N
InChIInChI=1S/C20H18N4O3/c1-27-20(26)16-12-22-24(18(16)21)15-8-6-14(7-9-15)19(25)23-11-10-13-4-2-3-5-17(13)23/h2-9,12H,10-11,21H2,1H3
InChIKeyUWBIGZLWGWSGHY-UHFFFAOYSA-N
XLogP2.44
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
methyl 5-amino-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363579
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
methyl 5-amino-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363542
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
methyl 5-amino-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363518

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate (CID 46363467) is methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccc(C(=O)N3CCc4ccccc43)cc2)c1N.
What is the InChIKey of methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate?
The InChIKey is UWBIGZLWGWSGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-20(26)16-12-22-24(18(16)21)15-8-6-14(7-9-15)19(25)23-11-10-13-4-2-3-5-17(13)23/h2-9,12H,10-11,21H2,1H3.
What are the key properties of methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate?
methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 46363467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).