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

C10H15ClFN5 — CID 171156653

IUPACN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1NCc1cnn(C)c1F.Cl
InChIInChI=1S/C10H14FN5.ClH/c1-7-9(6-15(2)14-7)12-4-8-5-13-16(3)10(8)11;/h5-6,12H,4H2,1-3H3;1H
InChIKeyAXIBWHGSGKBDHB-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.64
Rot. Bonds3

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

N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 171156653) has the molecular formula C10H15ClFN5 and a molecular weight of 259.72 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
PubChem CID171156653
Molecular FormulaC10H15ClFN5
Molecular Weight259.72 g/mol
Exact Mass259.10
IUPAC NameN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C)cc1NCc1cnn(C)c1F.Cl
InChIInChI=1S/C10H14FN5.ClH/c1-7-9(6-15(2)14-7)12-4-8-5-13-16(3)10(8)11;/h5-6,12H,4H2,1-3H3;1H
InChIKeyAXIBWHGSGKBDHB-UHFFFAOYSA-N
XLogP1.64
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 164664743
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 171156649
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965366
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-1-methylpyrazol-4-amine;hydrochloride
CID 126967836
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126967451
N-[(2,3-dimethylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866854
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
4-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpyridazin-3-one
CID 104576609
N-[(2-chloro-4-methylphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 106863330

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride (CID 171156653) is N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(C)cc1NCc1cnn(C)c1F.Cl.
What is the InChIKey of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is AXIBWHGSGKBDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5.ClH/c1-7-9(6-15(2)14-7)12-4-8-5-13-16(3)10(8)11;/h5-6,12H,4H2,1-3H3;1H.
What are the key properties of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride?
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 259.72 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 171156653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).