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

C11H16ClF2N5 — CID 126965424

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cn(C)nc1NCc1cnn(CC(F)F)c1.Cl
InChIInChI=1S/C11H15F2N5.ClH/c1-8-5-17(2)16-11(8)14-3-9-4-15-18(6-9)7-10(12)13;/h4-6,10H,3,7H2,1-2H3,(H,14,16);1H
InChIKeySNMUUZMFRYXVBZ-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.22
Rot. Bonds5

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

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride (PubChem CID 126965424) has the molecular formula C11H16ClF2N5 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
PubChem CID126965424
Molecular FormulaC11H16ClF2N5
Molecular Weight291.73 g/mol
Exact Mass291.11
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cn(C)nc1NCc1cnn(CC(F)F)c1.Cl
InChIInChI=1S/C11H15F2N5.ClH/c1-8-5-17(2)16-11(8)14-3-9-4-15-18(6-9)7-10(12)13;/h4-6,10H,3,7H2,1-2H3,(H,14,16);1H
InChIKeySNMUUZMFRYXVBZ-UHFFFAOYSA-N
XLogP2.22
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(2-fluoroethyl)-4-methylpyrazol-3-amine
CID 122167702
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
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
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-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762
1-ethyl-4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine
CID 122167858
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]heptan-1-amine;hydrochloride
CID 126967924
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122166655
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-N',N'-diethylpropane-1,3-diamine
CID 122166252

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride (CID 126965424) is N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride is Cc1cn(C)nc1NCc1cnn(CC(F)F)c1.Cl.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride?
The InChIKey is SNMUUZMFRYXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5.ClH/c1-8-5-17(2)16-11(8)14-3-9-4-15-18(6-9)7-10(12)13;/h4-6,10H,3,7H2,1-2H3,(H,14,16);1H.
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride?
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,4-dimethylpyrazol-3-amine;hydrochloride has a molecular weight of 291.73 g/mol, XLogP of 2.22, 5 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]-1,4-dimethylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126965424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).