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

C17H20N2O2 — CID 103017647

IUPAC2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCn1cc(CCC2(C(=O)O)CCc3ccccc3C2)cn1
InChIInChI=1S/C17H20N2O2/c1-19-12-13(11-18-19)6-8-17(16(20)21)9-7-14-4-2-3-5-15(14)10-17/h2-5,11-12H,6-10H2,1H3,(H,20,21)
InChIKeyUNPKUGFPWPPUFU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.61
Rot. Bonds4

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

2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 103017647) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID103017647
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCn1cc(CCC2(C(=O)O)CCc3ccccc3C2)cn1
InChIInChI=1S/C17H20N2O2/c1-19-12-13(11-18-19)6-8-17(16(20)21)9-7-14-4-2-3-5-15(14)10-17/h2-5,11-12H,6-10H2,1H3,(H,20,21)
InChIKeyUNPKUGFPWPPUFU-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 103017647) is 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is Cn1cc(CCC2(C(=O)O)CCc3ccccc3C2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is UNPKUGFPWPPUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19-12-13(11-18-19)6-8-17(16(20)21)9-7-14-4-2-3-5-15(14)10-17/h2-5,11-12H,6-10H2,1H3,(H,20,21).
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 103017647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).