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

C10H14N2O3 — CID 83858814

IUPAC4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O3/c13-10(14)3-1-2-8-7-6-15-5-4-9(7)12-11-8/h1-6H2,(H,11,12)(H,13,14)
InChIKeyHUCZJSXBONCGRW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.89
Rot. Bonds4

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

4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid (PubChem CID 83858814) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
PubChem CID83858814
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O3/c13-10(14)3-1-2-8-7-6-15-5-4-9(7)12-11-8/h1-6H2,(H,11,12)(H,13,14)
InChIKeyHUCZJSXBONCGRW-UHFFFAOYSA-N
XLogP0.89
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060
4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoic acid
CID 21258063
3-Isopropyl-1,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 58720019
3-(Methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71222975
3-ethyl-2H,4H,6H,7H-pyrano[4,3-c]pyrazole
CID 118493356
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
methyl 4-(4,5,6,7-tetrahydro-1H-indazol-3-yl)butanoate
CID 71521685
3-(Hydroxymethyl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 72942814
4,6-Dimethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
CID 81853518
2-[3-(oxolan-3-yl)-4,5,6,7-tetrahydro-1H-indazol-7-yl]acetic acid
CID 82382829

Frequently Asked Questions

What is the IUPAC name of 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The IUPAC name of 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid (CID 83858814) is 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The canonical SMILES for 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid is O=C(O)CCCc1n[nH]c2c1COCC2.
What is the InChIKey of 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
The InChIKey is HUCZJSXBONCGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)3-1-2-8-7-6-15-5-4-9(7)12-11-8/h1-6H2,(H,11,12)(H,13,14).
What are the key properties of 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid?
4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid is sourced from PubChem (CID 83858814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).