5-cyclopropyl-1H-pyrazole-3-carboxylic acid

C7H8N2O2 — CID 776464

IUPAC5-cyclopropyl-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyGNWMHLBUCXEXPE-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.99
Rot. Bonds2

About 5-cyclopropyl-1H-pyrazole-3-carboxylic acid

5-cyclopropyl-1H-pyrazole-3-carboxylic acid (PubChem CID 776464) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-cyclopropyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1H-pyrazole-3-carboxylic acid
PubChem CID776464
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-cyclopropyl-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKeyGNWMHLBUCXEXPE-UHFFFAOYSA-N
XLogP0.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1H-pyrazole-3-carboxylic acid (CID 776464) is 5-cyclopropyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is GNWMHLBUCXEXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11).
What are the key properties of 5-cyclopropyl-1H-pyrazole-3-carboxylic acid?
5-cyclopropyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 776464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).