methyl 2-(3-pyrazol-1-ylanilino)propanoate

C13H15N3O2 — CID 66174331

IUPACmethyl 2-(3-pyrazol-1-ylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H15N3O2/c1-10(13(17)18-2)15-11-5-3-6-12(9-11)16-8-4-7-14-16/h3-10,15H,1-2H3
InChIKeyGZOCSDNYWBLXCW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.85
Rot. Bonds4

About methyl 2-(3-pyrazol-1-ylanilino)propanoate

methyl 2-(3-pyrazol-1-ylanilino)propanoate (PubChem CID 66174331) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-(3-pyrazol-1-ylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-pyrazol-1-ylanilino)propanoate
PubChem CID66174331
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 2-(3-pyrazol-1-ylanilino)propanoate
SMILESCOC(=O)C(C)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C13H15N3O2/c1-10(13(17)18-2)15-11-5-3-6-12(9-11)16-8-4-7-14-16/h3-10,15H,1-2H3
InChIKeyGZOCSDNYWBLXCW-UHFFFAOYSA-N
XLogP1.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
CID 43739992
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
N-(1-ethoxypropan-2-yl)-3-pyrazol-1-ylaniline
CID 113354869
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 51117263
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
CID 162627810
N-[1-(3-bromophenyl)ethyl]-3-pyrazol-1-ylaniline
CID 43740009
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
N-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-pyrazol-1-ylanilino)propanoate?
The IUPAC name of methyl 2-(3-pyrazol-1-ylanilino)propanoate (CID 66174331) is methyl 2-(3-pyrazol-1-ylanilino)propanoate.
What is the SMILES notation for methyl 2-(3-pyrazol-1-ylanilino)propanoate?
The canonical SMILES for methyl 2-(3-pyrazol-1-ylanilino)propanoate is COC(=O)C(C)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of methyl 2-(3-pyrazol-1-ylanilino)propanoate?
The InChIKey is GZOCSDNYWBLXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(13(17)18-2)15-11-5-3-6-12(9-11)16-8-4-7-14-16/h3-10,15H,1-2H3.
What are the key properties of methyl 2-(3-pyrazol-1-ylanilino)propanoate?
methyl 2-(3-pyrazol-1-ylanilino)propanoate has a molecular weight of 245.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-pyrazol-1-ylanilino)propanoate is sourced from PubChem (CID 66174331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).