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

C7H10F2N4O — CID 115405230

IUPAC4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(F)F)n1
InChIInChI=1S/C7H10F2N4O/c1-13-3-4(10)6(12-13)7(14)11-2-5(8)9/h3,5H,2,10H2,1H3,(H,11,14)
InChIKeyPXNOIAITYLEFGX-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.00
Rot. Bonds3

About 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 115405230) has the molecular formula C7H10F2N4O and a molecular weight of 204.18 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
PubChem CID115405230
Molecular FormulaC7H10F2N4O
Molecular Weight204.18 g/mol
Exact Mass204.08
IUPAC Name4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(F)F)n1
InChIInChI=1S/C7H10F2N4O/c1-13-3-4(10)6(12-13)7(14)11-2-5(8)9/h3,5H,2,10H2,1H3,(H,11,14)
InChIKeyPXNOIAITYLEFGX-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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Related Compounds

4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-N-(2,3-dihydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 66169769
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide (CID 115405230) is 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCC(F)F)n1.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is PXNOIAITYLEFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O/c1-13-3-4(10)6(12-13)7(14)11-2-5(8)9/h3,5H,2,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide?
4-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 4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 115405230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).