6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid

C17H16N2O2 — CID 172868751

IUPAC6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid
SMILESCC(C)n1cc(-c2ccc3cc(C(=O)O)ccc3c2)cn1
InChIInChI=1S/C17H16N2O2/c1-11(2)19-10-16(9-18-19)14-4-3-13-8-15(17(20)21)6-5-12(13)7-14/h3-11H,1-2H3,(H,20,21)
InChIKeySVDHNLYGRCFEEW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.98
Rot. Bonds3

About 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid

6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid (PubChem CID 172868751) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid
PubChem CID172868751
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid
SMILESCC(C)n1cc(-c2ccc3cc(C(=O)O)ccc3c2)cn1
InChIInChI=1S/C17H16N2O2/c1-11(2)19-10-16(9-18-19)14-4-3-13-8-15(17(20)21)6-5-12(13)7-14/h3-11H,1-2H3,(H,20,21)
InChIKeySVDHNLYGRCFEEW-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 162677620
6-(1-ethylsulfonylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 172868762
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
8-(1-propan-2-ylpyrazol-4-yl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58406961
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 177122967
4-[(1-propan-2-ylpyrazol-4-yl)amino]benzoic acid
CID 62902330
4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylbenzoic acid
CID 171392245
CID 67200510
CID 67200510
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
6-[1-(difluoromethyl)pyrazol-4-yl]naphthalen-2-ol
CID 167766852

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid (CID 172868751) is 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid is CC(C)n1cc(-c2ccc3cc(C(=O)O)ccc3c2)cn1.
What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid?
The InChIKey is SVDHNLYGRCFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)19-10-16(9-18-19)14-4-3-13-8-15(17(20)21)6-5-12(13)7-14/h3-11H,1-2H3,(H,20,21).
What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid?
6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpyrazol-4-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 172868751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).