3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid

C8H10F2N2O2 — CID 66583238

IUPAC3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
SMILESCCCc1[nH]nc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-2-3-4-5(8(13)14)6(7(9)10)12-11-4/h7H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyMWDRLHIONNZCTE-UHFFFAOYSA-N
MW204.18 g/mol
LogP2.00
Rot. Bonds4

About 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid

3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid (PubChem CID 66583238) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
PubChem CID66583238
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid
SMILESCCCc1[nH]nc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H10F2N2O2/c1-2-3-4-5(8(13)14)6(7(9)10)12-11-4/h7H,2-3H2,1H3,(H,11,12)(H,13,14)
InChIKeyMWDRLHIONNZCTE-UHFFFAOYSA-N
XLogP2.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid (CID 66583238) is 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid is CCCc1[nH]nc(C(F)F)c1C(=O)O.
What is the InChIKey of 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is MWDRLHIONNZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-2-3-4-5(8(13)14)6(7(9)10)12-11-4/h7H,2-3H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid?
3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-propyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 66583238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).