5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid

C14H17N3O3 — CID 69045278

IUPAC5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid
SMILESCOc1ccc(CCc2cc(N)n(C(=O)O)n2)c(C)c1
InChIInChI=1S/C14H17N3O3/c1-9-7-12(20-2)6-4-10(9)3-5-11-8-13(15)17(16-11)14(18)19/h4,6-8H,3,5,15H2,1-2H3,(H,18,19)
InChIKeyHVEBNJWQHVJSAD-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid

5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid (PubChem CID 69045278) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid
PubChem CID69045278
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid
SMILESCOc1ccc(CCc2cc(N)n(C(=O)O)n2)c(C)c1
InChIInChI=1S/C14H17N3O3/c1-9-7-12(20-2)6-4-10(9)3-5-11-8-13(15)17(16-11)14(18)19/h4,6-8H,3,5,15H2,1-2H3,(H,18,19)
InChIKeyHVEBNJWQHVJSAD-UHFFFAOYSA-N
XLogP2.09
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
3-amino-4-(4-methoxy-2-methylphenyl)butanoic acid
CID 82351098
1-(4-methoxy-2-methylphenyl)-4,4-dimethylpentan-3-ol
CID 65316028
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
(5-amino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 91256750
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
2-(4-methoxy-2-methylphenyl)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 138027048
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxy-2-methylphenyl)acetamide
CID 166256642
dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane
CID 88833819

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid?
The IUPAC name of 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid (CID 69045278) is 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid?
The canonical SMILES for 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid is COc1ccc(CCc2cc(N)n(C(=O)O)n2)c(C)c1.
What is the InChIKey of 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid?
The InChIKey is HVEBNJWQHVJSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-7-12(20-2)6-4-10(9)3-5-11-8-13(15)17(16-11)14(18)19/h4,6-8H,3,5,15H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid?
5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(4-methoxy-2-methylphenyl)ethyl]pyrazole-1-carboxylic acid is sourced from PubChem (CID 69045278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).