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

C9H14F2N4O — CID 115405271

IUPAC4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC(F)F)c1N
InChIInChI=1S/C9H14F2N4O/c1-3-5-7(12)8(15(2)14-5)9(16)13-4-6(10)11/h6H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyMGDGDYJWAOAFBW-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.56
Rot. Bonds4

About 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 115405271) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID115405271
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC(F)F)c1N
InChIInChI=1S/C9H14F2N4O/c1-3-5-7(12)8(15(2)14-5)9(16)13-4-6(10)11/h6H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyMGDGDYJWAOAFBW-UHFFFAOYSA-N
XLogP0.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122995
4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
CID 66122980
tert-butyl N-[2-[(4-amino-3-ethyl-1-methylpyrazole-5-carbonyl)amino]ethyl]carbamate
CID 104932662
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154
4-amino-3-ethyl-1-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazole-5-carboxamide
CID 106425093
4-amino-3-ethyl-N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123377
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
4-amino-3-ethyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-5-carboxamide
CID 66116333
4-amino-N-(3-cyclopentylpropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106006327

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 115405271) is 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCC(F)F)c1N.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is MGDGDYJWAOAFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c1-3-5-7(12)8(15(2)14-5)9(16)13-4-6(10)11/h6H,3-4,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.56, 4 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)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 115405271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).