methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate

C14H17N3O2 — CID 66173912

IUPACmethyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C14H17N3O2/c1-11(14(18)19-2)16-13-7-4-3-6-12(13)10-17-9-5-8-15-17/h3-9,11,16H,10H2,1-2H3
InChIKeyPFABWTOKCOPYIM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate

methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate (PubChem CID 66173912) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
PubChem CID66173912
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C14H17N3O2/c1-11(14(18)19-2)16-13-7-4-3-6-12(13)10-17-9-5-8-15-17/h3-9,11,16H,10H2,1-2H3
InChIKeyPFABWTOKCOPYIM-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 43705539
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43693800
(E)-4-oxo-4-[2-(pyrazol-1-ylmethyl)anilino]but-2-enoic acid
CID 60941126
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 51114297
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
3-amino-N-[2-(pyrazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64892317
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate?
The IUPAC name of methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate (CID 66173912) is methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate.
What is the SMILES notation for methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate?
The canonical SMILES for methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate is COC(=O)C(C)Nc1ccccc1Cn1cccn1.
What is the InChIKey of methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate?
The InChIKey is PFABWTOKCOPYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(14(18)19-2)16-13-7-4-3-6-12(13)10-17-9-5-8-15-17/h3-9,11,16H,10H2,1-2H3.
What are the key properties of methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate?
methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate has a molecular weight of 259.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(pyrazol-1-ylmethyl)anilino]propanoate is sourced from PubChem (CID 66173912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).