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

C13H20ClF2N5 — CID 126965744

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1NCc1cnn(CC(F)F)c1.Cl
InChIInChI=1S/C13H19F2N5.ClH/c1-9(2)20-7-12(10(3)18-20)16-4-11-5-17-19(6-11)8-13(14)15;/h5-7,9,13,16H,4,8H2,1-3H3;1H
InChIKeyPABXGRIKCUDMMP-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.27
Rot. Bonds6

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

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 126965744) has the molecular formula C13H20ClF2N5 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID126965744
Molecular FormulaC13H20ClF2N5
Molecular Weight319.79 g/mol
Exact Mass319.14
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1NCc1cnn(CC(F)F)c1.Cl
InChIInChI=1S/C13H19F2N5.ClH/c1-9(2)20-7-12(10(3)18-20)16-4-11-5-17-19(6-11)8-13(14)15;/h5-7,9,13,16H,4,8H2,1-3H3;1H
InChIKeyPABXGRIKCUDMMP-UHFFFAOYSA-N
XLogP3.27
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
3-methyl-1-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965272
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 122166469
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167804
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167550
3-methyl-1-(2-methylpropyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167041
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
CID 126965424
4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrazol-3-amine
CID 122167592
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126966978

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (CID 126965744) is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is Cc1nn(C(C)C)cc1NCc1cnn(CC(F)F)c1.Cl.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is PABXGRIKCUDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5.ClH/c1-9(2)20-7-12(10(3)18-20)16-4-11-5-17-19(6-11)8-13(14)15;/h5-7,9,13,16H,4,8H2,1-3H3;1H.
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 3.27, 6 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]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).