5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide

C7H10F2N4O — CID 162759828

IUPAC5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)F)cc1N
InChIInChI=1S/C7H10F2N4O/c1-13-6(10)2-4(12-13)7(14)11-3-5(8)9/h2,5H,3,10H2,1H3,(H,11,14)
InChIKeyAQQTUHYZZHKSME-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.00
Rot. Bonds3

About 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide

5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 162759828) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
PubChem CID162759828
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)F)cc1N
InChIInChI=1S/C7H10F2N4O/c1-13-6(10)2-4(12-13)7(14)11-3-5(8)9/h2,5H,3,10H2,1H3,(H,11,14)
InChIKeyAQQTUHYZZHKSME-UHFFFAOYSA-N
XLogP-0.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide (CID 162759828) is 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCC(F)F)cc1N.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is AQQTUHYZZHKSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c1-13-6(10)2-4(12-13)7(14)11-3-5(8)9/h2,5H,3,10H2,1H3,(H,11,14).
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 204.18 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162759828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).