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

C19H24FN5 — CID 131908715

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cnn(-c3cccc(F)c3)c2)n1
InChIInChI=1S/C19H24FN5/c1-15-10-16(2)24(22-15)9-5-8-23(3)13-17-12-21-25(14-17)19-7-4-6-18(20)11-19/h4,6-7,10-12,14H,5,8-9,13H2,1-3H3
InChIKeySZRFDGGWGTZKMH-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.35
Rot. Bonds7

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

3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 131908715) 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-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine
PubChem CID131908715
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cnn(-c3cccc(F)c3)c2)n1
InChIInChI=1S/C19H24FN5/c1-15-10-16(2)24(22-15)9-5-8-23(3)13-17-12-21-25(14-17)19-7-4-6-18(20)11-19/h4,6-7,10-12,14H,5,8-9,13H2,1-3H3
InChIKeySZRFDGGWGTZKMH-UHFFFAOYSA-N
XLogP3.35
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine (CID 131908715) is 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine is Cc1cc(C)n(CCCN(C)Cc2cnn(-c3cccc(F)c3)c2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is SZRFDGGWGTZKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5/c1-15-10-16(2)24(22-15)9-5-8-23(3)13-17-12-21-25(14-17)19-7-4-6-18(20)11-19/h4,6-7,10-12,14H,5,8-9,13H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 341.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 131908715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).