1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid

C10H16N2O3 — CID 129452326

IUPAC1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1OCC(C)C
InChIInChI=1S/C10H16N2O3/c1-4-12-9(15-6-7(2)3)5-8(11-12)10(13)14/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyWOJMGAYPGVBBCA-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.64
Rot. Bonds5

About 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid

1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid (PubChem CID 129452326) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid
PubChem CID129452326
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid
SMILESCCn1nc(C(=O)O)cc1OCC(C)C
InChIInChI=1S/C10H16N2O3/c1-4-12-9(15-6-7(2)3)5-8(11-12)10(13)14/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyWOJMGAYPGVBBCA-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-difluoroethoxy)-1-methylpyrazole-3-carboxylic acid
CID 130229500
1-ethyl-5-(propan-2-ylsulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217375
1-ethyl-5-[(propan-2-ylamino)methyl]pyrazole-3-carboxylic acid
CID 117217373
1-(3-methylbutyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 95453937
1-ethyl-5-(piperidin-1-ylmethyl)pyrazole-3-carboxylic acid
CID 117217240
6-(2-methylpropoxy)pyrazine-2-carboxylic acid
CID 66456877
1-ethyl-5-(ethylsulfonylmethyl)pyrazole-3-carboxylic acid
CID 117217264
ethyl 1-(2-methylphenyl)-5-(2-methylpropoxy)pyrazole-3-carboxylate
CID 23157226
5-amino-1-(2,2-diethoxyethyl)pyrazole-3-carboxylic acid
CID 10060324
5-methoxy-1-propan-2-ylpyrazole-3-carboxylic acid
CID 83864411
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid (CID 129452326) is 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid is CCn1nc(C(=O)O)cc1OCC(C)C.
What is the InChIKey of 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid?
The InChIKey is WOJMGAYPGVBBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-12-9(15-6-7(2)3)5-8(11-12)10(13)14/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid?
1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid is sourced from PubChem (CID 129452326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).