3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid

C13H15N3O3 — CID 82485027

IUPAC3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1
InChIInChI=1S/C13H15N3O3/c1-2-7-19-9-5-3-8(4-6-9)10-11(13(17)18)15-16-12(10)14/h3-6H,2,7H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyOAPWUQBIDPPKLK-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.15
Rot. Bonds5

About 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid

3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 82485027) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID82485027
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCCCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1
InChIInChI=1S/C13H15N3O3/c1-2-7-19-9-5-3-8(4-6-9)10-11(13(17)18)15-16-12(10)14/h3-6H,2,7H2,1H3,(H,17,18)(H3,14,15,16)
InChIKeyOAPWUQBIDPPKLK-UHFFFAOYSA-N
XLogP2.15
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
3-amino-4-(4-ethoxy-3-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82486573
2-methyl-4-(4-propoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82301600
3-amino-N-methyl-5-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 144571706
2-amino-5-methyl-4-(4-propoxyphenyl)thiophene-3-carboxylic acid
CID 39079267
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 82479753
2-(4-propoxyphenyl)benzoic acid
CID 62802761
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
4-(4-propoxyphenyl)benzamide
CID 23771495
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
5-(aminomethyl)-3-(4-propoxyphenyl)-1H-pyridazin-6-one
CID 82446164
2-amino-5-propoxybenzoic acid
CID 12719187

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 82485027) is 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid is CCCOc1ccc(-c2c(N)n[nH]c2C(=O)O)cc1.
What is the InChIKey of 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OAPWUQBIDPPKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-7-19-9-5-3-8(4-6-9)10-11(13(17)18)15-16-12(10)14/h3-6H,2,7H2,1H3,(H,17,18)(H3,14,15,16).
What are the key properties of 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 82485027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).