5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid

C19H18N2O2 — CID 172677644

IUPAC5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3cnn(CC4CCC4)c3)cccc2c1
InChIInChI=1S/C19H18N2O2/c22-19(23)15-7-8-18-14(9-15)5-2-6-17(18)16-10-20-21(12-16)11-13-3-1-4-13/h2,5-10,12-13H,1,3-4,11H2,(H,22,23)
InChIKeyRBMZGCIJANINJK-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.20
Rot. Bonds4

About 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid

5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid (PubChem CID 172677644) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
PubChem CID172677644
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3cnn(CC4CCC4)c3)cccc2c1
InChIInChI=1S/C19H18N2O2/c22-19(23)15-7-8-18-14(9-15)5-2-6-17(18)16-10-20-21(12-16)11-13-3-1-4-13/h2,5-10,12-13H,1,3-4,11H2,(H,22,23)
InChIKeyRBMZGCIJANINJK-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
CID 172677635
2-methyl-3-[1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyrazol-4-yl]benzoic acid
CID 171362114
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637762
5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid
CID 170456840
2-[1-(cyclobutylmethyl)pyrazol-4-yl]-6-phenylmethoxybenzaldehyde
CID 172993925
2-[4-chloro-3-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835965
3-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-methylsulfonylaniline
CID 166176429
6-chloro-5-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methylpyridine-2-carboxamide
CID 129301785
3-[[5-chloro-3-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-oxobenzimidazol-1-yl]methyl]benzoic acid
CID 172633007

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid?
The IUPAC name of 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid (CID 172677644) is 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid?
The canonical SMILES for 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid is O=C(O)c1ccc2c(-c3cnn(CC4CCC4)c3)cccc2c1.
What is the InChIKey of 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid?
The InChIKey is RBMZGCIJANINJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(23)15-7-8-18-14(9-15)5-2-6-17(18)16-10-20-21(12-16)11-13-3-1-4-13/h2,5-10,12-13H,1,3-4,11H2,(H,22,23).
What are the key properties of 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid?
5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 172677644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).