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

C12H19ClFN5 — CID 126968344

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1ccn(CCF)n1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-10-11(9-17(2)15-10)7-14-8-12-3-5-18(16-12)6-4-13;/h3,5,9,14H,4,6-8H2,1-2H3;1H
InChIKeyJDKFZPXWTVDWBK-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.61
Rot. Bonds6

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 126968344) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
PubChem CID126968344
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1ccn(CCF)n1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-10-11(9-17(2)15-10)7-14-8-12-3-5-18(16-12)6-4-13;/h3,5,9,14H,4,6-8H2,1-2H3;1H
InChIKeyJDKFZPXWTVDWBK-UHFFFAOYSA-N
XLogP1.61
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126963870
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122166657
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966916
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]methanamine
CID 122168274
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126967207
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 122168541
1-[1-(2-fluoroethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 126967555
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 165470187
1-(5-bromo-2-pyridinyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668648
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride (CID 126968344) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride is Cc1nn(C)cc1CNCc1ccn(CCF)n1.Cl.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is JDKFZPXWTVDWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5.ClH/c1-10-11(9-17(2)15-10)7-14-8-12-3-5-18(16-12)6-4-13;/h3,5,9,14H,4,6-8H2,1-2H3;1H.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 126968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).