5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide

C7H8F4N4O — CID 106295277

IUPAC5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4O/c8-6(9)7(10,11)2-13-5(16)3-1-14-15-4(3)12/h1,6H,2H2,(H,13,16)(H3,12,14,15)
InChIKeyKRGAQEHZQRQLJD-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.62
Rot. Bonds4

About 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide (PubChem CID 106295277) has the molecular formula C7H8F4N4O and a molecular weight of 240.16 g/mol. Its IUPAC name is 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
PubChem CID106295277
Molecular FormulaC7H8F4N4O
Molecular Weight240.16 g/mol
Exact Mass240.06
IUPAC Name5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]ncc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4O/c8-6(9)7(10,11)2-13-5(16)3-1-14-15-4(3)12/h1,6H,2H2,(H,13,16)(H3,12,14,15)
InChIKeyKRGAQEHZQRQLJD-UHFFFAOYSA-N
XLogP0.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Allopurinol
CID 135401907
1H-Pyrazole-4-carboxamide, 3-amino-
CID 79254
Pyrazole-4-carboxamide, 3-(3-butyl-3-methyl-1-triazeno)-
CID 135666434
Allopurinol (monosodium salt)
CID 135534565
5-Amino-N-methyl-1H-pyrazole-4-carboxamide
CID 10844455
5-[(E)-[bis(2-fluoroethyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
CID 135478904
1H-Pyrazole-4-carboxamide,3-dimethyl-1-triazenyl)-
CID 135478701
5-[(E)-[methyl(propyl)amino]diazenyl]-1H-pyrazole-4-carboxamide
CID 135545736
5-amino-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13282254
3-(3,3-Dimethyl-1-triazeno)pyrazole-4-carboxamide
CID 88920
5-[(E)-diethylaminodiazenyl]-1H-pyrazole-4-carboxamide
CID 135545734
5,6-Dihydropyrazolo[3,4-e][1,4]diazepin-4(1h)-one
CID 57435580

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide (CID 106295277) is 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide is Nc1[nH]ncc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KRGAQEHZQRQLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O/c8-6(9)7(10,11)2-13-5(16)3-1-14-15-4(3)12/h1,6H,2H2,(H,13,16)(H3,12,14,15).
What are the key properties of 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 240.16 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106295277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).