1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid

C7H7FN2O2 — CID 115013687

IUPAC1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CC2)c1F
InChIInChI=1S/C7H7FN2O2/c8-6-5(7(11)12)3-9-10(6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeyCYNOPNYFIKFCPC-UHFFFAOYSA-N
MW170.14 g/mol
LogP1.06
Rot. Bonds2

About 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid

1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid (PubChem CID 115013687) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
PubChem CID115013687
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CC2)c1F
InChIInChI=1S/C7H7FN2O2/c8-6-5(7(11)12)3-9-10(6)4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeyCYNOPNYFIKFCPC-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid (CID 115013687) is 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CC2)c1F.
What is the InChIKey of 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid?
The InChIKey is CYNOPNYFIKFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-6-5(7(11)12)3-9-10(6)4-1-2-4/h3-4H,1-2H2,(H,11,12).
What are the key properties of 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid?
1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid has a molecular weight of 170.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid is sourced from PubChem (CID 115013687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).