2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid

C9H12N2O3 — CID 83858819

IUPAC2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C9H12N2O3/c1-5(9(12)13)8-6-4-14-3-2-7(6)10-11-8/h5H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyNFXNWUSCCXTDBV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.67
Rot. Bonds2

About 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid

2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid (PubChem CID 83858819) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
PubChem CID83858819
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C9H12N2O3/c1-5(9(12)13)8-6-4-14-3-2-7(6)10-11-8/h5H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyNFXNWUSCCXTDBV-UHFFFAOYSA-N
XLogP0.67
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxan-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 175535129
ethyl 3-(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-carboxylate
CID 24975918
methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylate;hydrochloride
CID 177800329
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060
3-(Methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71222975
Ethyl 7-methyl-3-propan-2-yl-2,4,5,6-tetrahydroindazole-7-carboxylate
CID 146330889
3,6-dimethyl-6,7-dihydro-2H-pyrano[4,3-c]pyrazol-4-one
CID 12826141
3-(1,4,5,7-Tetrahydropyrano[4,3-d]pyrazol-3-yl)propanoic acid
CID 82399778
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 82407932
4-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858814
1-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one
CID 83858817
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one
CID 83858818

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid (CID 83858819) is 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid is CC(C(=O)O)c1n[nH]c2c1COCC2.
What is the InChIKey of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The InChIKey is NFXNWUSCCXTDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(9(12)13)8-6-4-14-3-2-7(6)10-11-8/h5H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 83858819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).