N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

C12H16F3N5 — CID 122167702

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1cnn(CC(F)F)c1
InChIInChI=1S/C12H16F3N5/c1-9-6-19(3-2-13)18-12(9)16-4-10-5-17-20(7-10)8-11(14)15/h5-7,11H,2-4,8H2,1H3,(H,16,18)
InChIKeyWUTKMIALYYLMMI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.23
Rot. Bonds7

About N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (PubChem CID 122167702) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
PubChem CID122167702
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1cnn(CC(F)F)c1
InChIInChI=1S/C12H16F3N5/c1-9-6-19(3-2-13)18-12(9)16-4-10-5-17-20(7-10)8-11(14)15/h5-7,11H,2-4,8H2,1H3,(H,16,18)
InChIKeyWUTKMIALYYLMMI-UHFFFAOYSA-N
XLogP2.23
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 126965424
1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166940
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrazol-3-amine
CID 122167592
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166515
1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167597
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]methyl]benzene-1,3-diol
CID 122168337
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-3-amine;hydrochloride
CID 126966977
1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126963874

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine (CID 122167702) is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is Cc1cn(CCF)nc1NCc1cnn(CC(F)F)c1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
The InChIKey is WUTKMIALYYLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-9-6-19(3-2-13)18-12(9)16-4-10-5-17-20(7-10)8-11(14)15/h5-7,11H,2-4,8H2,1H3,(H,16,18).
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine?
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine has a molecular weight of 287.29 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 122167702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).