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

C10H15ClFN5 — CID 171156647

IUPACN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1ccc(CNCc2cnn(C)c2F)n1
InChIInChI=1S/C10H14FN5.ClH/c1-15-4-3-9(14-15)7-12-5-8-6-13-16(2)10(8)11;/h3-4,6,12H,5,7H2,1-2H3;1H
InChIKeySHYKPFDXXGMONF-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.00
Rot. Bonds4

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

N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 171156647) 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-(1-methylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID171156647
Molecular FormulaC10H15ClFN5
Molecular Weight259.72 g/mol
Exact Mass259.10
IUPAC NameN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1ccc(CNCc2cnn(C)c2F)n1
InChIInChI=1S/C10H14FN5.ClH/c1-15-4-3-9(14-15)7-12-5-8-6-13-16(2)10(8)11;/h3-4,6,12H,5,7H2,1-2H3;1H
InChIKeySHYKPFDXXGMONF-UHFFFAOYSA-N
XLogP1.00
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 171156649
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
2-fluoro-6-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 112607196
N-[(5-bromo-2-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920760
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921126
N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166525
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 106263665
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N',N'-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 78923359

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride (CID 171156647) is N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride is Cl.Cn1ccc(CNCc2cnn(C)c2F)n1.
What is the InChIKey of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is SHYKPFDXXGMONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5.ClH/c1-15-4-3-9(14-15)7-12-5-8-6-13-16(2)10(8)11;/h3-4,6,12H,5,7H2,1-2H3;1H.
What are the key properties of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride?
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 259.72 g/mol, XLogP of 1.00, 4 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-(1-methylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 171156647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).