4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid

C7H9FN2O2 — CID 68851129

IUPAC4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid
SMILESCCCc1[nH]nc(C(=O)O)c1F
InChIInChI=1S/C7H9FN2O2/c1-2-3-4-5(8)6(7(11)12)10-9-4/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyPLFOBBQEOBUECU-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.20
Rot. Bonds3

About 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid

4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid (PubChem CID 68851129) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid
PubChem CID68851129
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid
SMILESCCCc1[nH]nc(C(=O)O)c1F
InChIInChI=1S/C7H9FN2O2/c1-2-3-4-5(8)6(7(11)12)10-9-4/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyPLFOBBQEOBUECU-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid
CID 648852
5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 776421
3-propyl-1H-pyrazole-5-carboxylic acid
CID 676464
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid
CID 776416
5-cyclopropyl-1H-pyrazole-3-carboxylic acid
CID 776464
3-tert-butyl-1H-pyrazole-5-carboxylic acid
CID 2068039
3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid
CID 654171
5-Ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
CID 3159638
4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid
CID 24180571
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
CID 655343
5-Butyl-1H-pyrazole-3-carboxylic acid
CID 6485181
3-acetyl-1H-pyrazole-5-carboxylic acid
CID 16767346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid (CID 68851129) is 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid is CCCc1[nH]nc(C(=O)O)c1F.
What is the InChIKey of 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is PLFOBBQEOBUECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-2-3-4-5(8)6(7(11)12)10-9-4/h2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid?
4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 172.16 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 68851129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).