3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid

C16H18N2O2 — CID 82123787

IUPAC3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C16H18N2O2/c19-16(20)8-7-14-10-15(18-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyRYMKPPRFLVEPEU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.97
Rot. Bonds4

About 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid

3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid (PubChem CID 82123787) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
PubChem CID82123787
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C16H18N2O2/c19-16(20)8-7-14-10-15(18-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKeyRYMKPPRFLVEPEU-UHFFFAOYSA-N
XLogP2.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
5-(propylaminomethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridazin-6-one
CID 82445656
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide
CID 142636925
3-[4-[4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,3-thiazol-2-yl]phenyl]propanoic acid;hydrochloride
CID 67762406
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid;hydrochloride
CID 163329473
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid?
The IUPAC name of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid (CID 82123787) is 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid?
The canonical SMILES for 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid is O=C(O)CCc1cc(-c2ccc3c(c2)CCCC3)n[nH]1.
What is the InChIKey of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid?
The InChIKey is RYMKPPRFLVEPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)8-7-14-10-15(18-17-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid?
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid is sourced from PubChem (CID 82123787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).