3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

C19H24FN5 — CID 46990689

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C19H24FN5/c1-14-11-15(2)25(23-14)10-4-9-24(3)13-17-12-21-22-19(17)16-5-7-18(20)8-6-16/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,21,22)
InChIKeyYDRRHVGSAZHBEZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.55
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 46990689) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
PubChem CID46990689
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C19H24FN5/c1-14-11-15(2)25(23-14)10-4-9-24(3)13-17-12-21-22-19(17)16-5-7-18(20)8-6-16/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,21,22)
InChIKeyYDRRHVGSAZHBEZ-UHFFFAOYSA-N
XLogP3.55
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (CID 46990689) is 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is Cc1cc(C)n(CCCN(C)Cc2cn[nH]c2-c2ccc(F)cc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is YDRRHVGSAZHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c1-14-11-15(2)25(23-14)10-4-9-24(3)13-17-12-21-22-19(17)16-5-7-18(20)8-6-16/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 341.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 46990689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).