4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid

C16H18N2O3 — CID 43318002

IUPAC4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc3c2CCCC3)cc1CCO
InChIInChI=1S/C16H18N2O3/c19-9-8-12-10-18(17-15(12)16(20)21)14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,10,19H,1-2,4,6,8-9H2,(H,20,21)
InChIKeyQQHNBRPGRYQXSV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid

4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid (PubChem CID 43318002) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid
PubChem CID43318002
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc3c2CCCC3)cc1CCO
InChIInChI=1S/C16H18N2O3/c19-9-8-12-10-18(17-15(12)16(20)21)14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,10,19H,1-2,4,6,8-9H2,(H,20,21)
InChIKeyQQHNBRPGRYQXSV-UHFFFAOYSA-N
XLogP1.98
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 43318037
4-(2-hydroxyethyl)-1-(2-methylsulfanylphenyl)pyrazole-3-carboxylic acid
CID 43318061
1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318004
1-(2-bromo-4-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43363510
4-(2-hydroxyethyl)-1-(1-methylpyrazol-4-yl)pyrazole-3-carboxylic acid
CID 79779719
4-(2-hydroxyethyl)-1-(3-methylsulfanylphenyl)pyrazole-3-carboxylic acid
CID 43135272
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazol-3-amine
CID 102942316
1-(3-bromo-4-methylphenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 63333756
4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid
CID 167748784
1-(4-fluoro-2-nitrophenyl)-4-(2-hydroxyethyl)pyrazole-3-carboxylic acid
CID 43381180
4-butyl-1-(2-chloro-3-phenylphenyl)pyrazole-3-carboxylic acid
CID 174501647

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid (CID 43318002) is 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cccc3c2CCCC3)cc1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid?
The InChIKey is QQHNBRPGRYQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-9-8-12-10-18(17-15(12)16(20)21)14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7,10,19H,1-2,4,6,8-9H2,(H,20,21).
What are the key properties of 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid?
4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43318002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).