1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride

C9H12ClF2N3O2 — CID 155194705

IUPAC1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn(C2CCNCC2(F)F)c1
InChIInChI=1S/C9H11F2N3O2.ClH/c10-9(11)5-12-2-1-7(9)14-4-6(3-13-14)8(15)16;/h3-4,7,12H,1-2,5H2,(H,15,16);1H
InChIKeyWACDLYPFTAOVFV-UHFFFAOYSA-N
MW267.66 g/mol
LogP1.17
Rot. Bonds2

About 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride

1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride (PubChem CID 155194705) has the molecular formula C9H12ClF2N3O2 and a molecular weight of 267.66 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
PubChem CID155194705
Molecular FormulaC9H12ClF2N3O2
Molecular Weight267.66 g/mol
Exact Mass267.06
IUPAC Name1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cnn(C2CCNCC2(F)F)c1
InChIInChI=1S/C9H11F2N3O2.ClH/c10-9(11)5-12-2-1-7(9)14-4-6(3-13-14)8(15)16;/h3-4,7,12H,1-2,5H2,(H,15,16);1H
InChIKeyWACDLYPFTAOVFV-UHFFFAOYSA-N
XLogP1.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride (CID 155194705) is 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cnn(C2CCNCC2(F)F)c1.
What is the InChIKey of 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
The InChIKey is WACDLYPFTAOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2.ClH/c10-9(11)5-12-2-1-7(9)14-4-6(3-13-14)8(15)16;/h3-4,7,12H,1-2,5H2,(H,15,16);1H.
What are the key properties of 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride?
1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride has a molecular weight of 267.66 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-4-yl)pyrazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 155194705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).