2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C16H18N2O2 — CID 65408357

IUPAC2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCn1cc(CC2(C(=O)O)CCc3ccccc3C2)cn1
InChIInChI=1S/C16H18N2O2/c1-18-11-12(10-17-18)8-16(15(19)20)7-6-13-4-2-3-5-14(13)9-16/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyAWOGCQGOTYKCEQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.22
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 65408357) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID65408357
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCn1cc(CC2(C(=O)O)CCc3ccccc3C2)cn1
InChIInChI=1S/C16H18N2O2/c1-18-11-12(10-17-18)8-16(15(19)20)7-6-13-4-2-3-5-14(13)9-16/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyAWOGCQGOTYKCEQ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4,5-Diphenyl-pyrazol-1-yl)-octanoic acid
CID 10090048
9-(3,4-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10090958
9-(4,5-Diphenyl-pyrazol-1-yl)-nonanoic acid
CID 10452166
ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxylate
CID 16188448
3,4-diphenyl-1H-pyrazole-1-octanoic acid
CID 15725733
9-(3,4-Diphenylpyrazol-1-yl)nonanoic acid;hydrate
CID 67794220
9-(4-Phenyl-pyrazol-1-yl)-nonanoic acid
CID 15725731
7-(3,4-Diphenylpyrazol-1-yl)heptanoic acid
CID 15725732
10-(3,4-Diphenylpyrazol-1-yl)decanoic acid
CID 15725734
7-(4,5-Diphenylpyrazol-1-yl)heptanoic acid
CID 15725735
10-(4,5-Diphenylpyrazol-1-yl)decanoic acid
CID 15725736
(3S*,4R*)-1-{[1-(2-carboxyethyl)-1H-pyrazol-4-yl]methyl}-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70759668

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 65408357) is 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is Cn1cc(CC2(C(=O)O)CCc3ccccc3C2)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is AWOGCQGOTYKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18-11-12(10-17-18)8-16(15(19)20)7-6-13-4-2-3-5-14(13)9-16/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 65408357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).