3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

C19H20FN3 — CID 11174331

IUPAC3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20FN3/c1-21-11-10-19(16-6-8-18(20)9-7-16)15-4-2-14(3-5-15)17-12-22-23-13-17/h2-9,12-13,19,21H,10-11H2,1H3,(H,22,23)
InChIKeyPMQWUCJKVOBNEE-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.96
Rot. Bonds6

About 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 11174331) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID11174331
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20FN3/c1-21-11-10-19(16-6-8-18(20)9-7-16)15-4-2-14(3-5-15)17-12-22-23-13-17/h2-9,12-13,19,21H,10-11H2,1H3,(H,22,23)
InChIKeyPMQWUCJKVOBNEE-UHFFFAOYSA-N
XLogP3.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 11174331) is 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is CNCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is PMQWUCJKVOBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-21-11-10-19(16-6-8-18(20)9-7-16)15-4-2-14(3-5-15)17-12-22-23-13-17/h2-9,12-13,19,21H,10-11H2,1H3,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 309.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 11174331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).