5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid

C7H9F2N3O2 — CID 84672876

IUPAC5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1CCC(F)F
InChIInChI=1S/C7H9F2N3O2/c8-5(9)1-2-12-6(10)4(3-11-12)7(13)14/h3,5H,1-2,10H2,(H,13,14)
InChIKeyZCPUSELLOSVKJF-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.82
Rot. Bonds4

About 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid

5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid (PubChem CID 84672876) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid
PubChem CID84672876
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1CCC(F)F
InChIInChI=1S/C7H9F2N3O2/c8-5(9)1-2-12-6(10)4(3-11-12)7(13)14/h3,5H,1-2,10H2,(H,13,14)
InChIKeyZCPUSELLOSVKJF-UHFFFAOYSA-N
XLogP0.82
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-1H-pyrazole-4-carboxylic acid
CID 313342
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 15140326
5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid
CID 320053
1-(2,2,2-Trifluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 16490804
5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2980262
1-(2,2-difluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 19622816
3-Amino-1-methyl-1H-pyrazole-4-carboxylic acid
CID 19754734
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate
CID 22831608
1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylic acid
CID 64565696
5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
CID 67124065
5-amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid
CID 83241530

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid (CID 84672876) is 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid is Nc1c(C(=O)O)cnn1CCC(F)F.
What is the InChIKey of 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid?
The InChIKey is ZCPUSELLOSVKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c8-5(9)1-2-12-6(10)4(3-11-12)7(13)14/h3,5H,1-2,10H2,(H,13,14).
What are the key properties of 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid?
5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid has a molecular weight of 205.16 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,3-difluoropropyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 84672876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).