1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride

C13H20ClF2N5 — CID 126965762

IUPAC1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCCC(C)n1ccc(NCc2cnn(CC(F)F)c2)n1.Cl
InChIInChI=1S/C13H19F2N5.ClH/c1-3-10(2)20-5-4-13(18-20)16-6-11-7-17-19(8-11)9-12(14)15;/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,16,18);1H
InChIKeyWDJXSYFRHFGDIQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.35
Rot. Bonds7

About 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride

1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126965762) has the molecular formula C13H20ClF2N5 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
PubChem CID126965762
Molecular FormulaC13H20ClF2N5
Molecular Weight319.79 g/mol
Exact Mass319.14
IUPAC Name1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
SMILESCCC(C)n1ccc(NCc2cnn(CC(F)F)c2)n1.Cl
InChIInChI=1S/C13H19F2N5.ClH/c1-3-10(2)20-5-4-13(18-20)16-6-11-7-17-19(8-11)9-12(14)15;/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,16,18);1H
InChIKeyWDJXSYFRHFGDIQ-UHFFFAOYSA-N
XLogP3.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride with MolForge

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 126965424
1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 124932352
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]heptan-1-amine;hydrochloride
CID 126967924

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride (CID 126965762) is 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride is CCC(C)n1ccc(NCc2cnn(CC(F)F)c2)n1.Cl.
What is the InChIKey of 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is WDJXSYFRHFGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5.ClH/c1-3-10(2)20-5-4-13(18-20)16-6-11-7-17-19(8-11)9-12(14)15;/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,16,18);1H.
What are the key properties of 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride?
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126965762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).