3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid

C10H14N2O3 — CID 83858831

IUPAC3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O3/c1-6(4-9(13)14)10-7-5-15-3-2-8(7)11-12-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyMZIPKRHXBFEUNK-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds3

About 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid

3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid (PubChem CID 83858831) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
PubChem CID83858831
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O3/c1-6(4-9(13)14)10-7-5-15-3-2-8(7)11-12-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyMZIPKRHXBFEUNK-UHFFFAOYSA-N
XLogP1.06
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H,4H,6H,7H-pyrano(4,3-c)pyrazole-3-carboxylic acid
CID 22477670
2-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-7-yl]acetic acid
CID 71185239
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060
3-Isopropyl-1,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 58720019
ethyl 4-butyl-5-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxylate
CID 69491913
3-(Methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71222975
Ethyl 4,5,6,7-tetrahydro-6-hydroxy-1h-indazole-3-carboxylate
CID 117912274
6,6-dimethyl-3-propan-2-yl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
CID 118489322
3-ethyl-6,6-dimethyl-4,7-dihydro-1H-pyrano[4,3-c]pyrazole
CID 118493355
Ethyl 5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 124178678
Ethyl 4-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)cyclohex-3-ene-1-carboxylate
CID 129080614
4,4-dimethyl-6,7-dihydro-1H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 140764668

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The IUPAC name of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid (CID 83858831) is 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid is CC(CC(=O)O)c1n[nH]c2c1COCC2.
What is the InChIKey of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The InChIKey is MZIPKRHXBFEUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(4-9(13)14)10-7-5-15-3-2-8(7)11-12-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).