1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride

C11H17ClFN5 — CID 171156649

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1cnn(C)c1F.Cl
InChIInChI=1S/C11H16FN5.ClH/c1-8-10(7-16(2)15-8)5-13-4-9-6-14-17(3)11(9)12;/h6-7,13H,4-5H2,1-3H3;1H
InChIKeyKBORAIXXLHNNIX-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.31
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 171156649) has the molecular formula C11H17ClFN5 and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID171156649
Molecular FormulaC11H17ClFN5
Molecular Weight273.74 g/mol
Exact Mass273.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCc1nn(C)cc1CNCc1cnn(C)c1F.Cl
InChIInChI=1S/C11H16FN5.ClH/c1-8-10(7-16(2)15-8)5-13-4-9-6-14-17(3)11(9)12;/h6-7,13H,4-5H2,1-3H3;1H
InChIKeyKBORAIXXLHNNIX-UHFFFAOYSA-N
XLogP1.31
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride with MolForge

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Related Compounds

N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 171156647
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 122167904
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
CID 126967612
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 112668570
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126963870

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 171156649) is 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride is Cc1nn(C)cc1CNCc1cnn(C)c1F.Cl.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is KBORAIXXLHNNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5.ClH/c1-8-10(7-16(2)15-8)5-13-4-9-6-14-17(3)11(9)12;/h6-7,13H,4-5H2,1-3H3;1H.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 171156649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).