N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride

C14H25ClF2N4O — CID 119608489

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C14H24F2N4O.ClH/c1-8(2)14(5,7-17)18-12(21)6-11-9(3)19-20(10(11)4)13(15)16;/h8,13H,6-7,17H2,1-5H3,(H,18,21);1H
InChIKeyXNIQNDFNWVWBGB-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.35
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride (PubChem CID 119608489) has the molecular formula C14H25ClF2N4O and a molecular weight of 338.83 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
PubChem CID119608489
Molecular FormulaC14H25ClF2N4O
Molecular Weight338.83 g/mol
Exact Mass338.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC(C)(CN)C(C)C.Cl
InChIInChI=1S/C14H24F2N4O.ClH/c1-8(2)14(5,7-17)18-12(21)6-11-9(3)19-20(10(11)4)13(15)16;/h8,13H,6-7,17H2,1-5H3,(H,18,21);1H
InChIKeyXNIQNDFNWVWBGB-UHFFFAOYSA-N
XLogP2.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride (CID 119608489) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride is Cc1nn(C(F)F)c(C)c1CC(=O)NC(C)(CN)C(C)C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
The InChIKey is XNIQNDFNWVWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4O.ClH/c1-8(2)14(5,7-17)18-12(21)6-11-9(3)19-20(10(11)4)13(15)16;/h8,13H,6-7,17H2,1-5H3,(H,18,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride has a molecular weight of 338.83 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119608489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).