3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

C19H19F2N3 — CID 71143290

IUPAC3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCC(Cc1ccc(F)c(F)c1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H19F2N3/c1-22-10-16(8-13-2-7-18(20)19(21)9-13)14-3-5-15(6-4-14)17-11-23-24-12-17/h2-7,9,11-12,16,22H,8,10H2,1H3,(H,23,24)
InChIKeySAPZJKPROPBCBR-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.90
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine

3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 71143290) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID71143290
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCC(Cc1ccc(F)c(F)c1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H19F2N3/c1-22-10-16(8-13-2-7-18(20)19(21)9-13)14-3-5-15(6-4-14)17-11-23-24-12-17/h2-7,9,11-12,16,22H,8,10H2,1H3,(H,23,24)
InChIKeySAPZJKPROPBCBR-UHFFFAOYSA-N
XLogP3.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 71143290) is 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is CNCC(Cc1ccc(F)c(F)c1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is SAPZJKPROPBCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-22-10-16(8-13-2-7-18(20)19(21)9-13)14-3-5-15(6-4-14)17-11-23-24-12-17/h2-7,9,11-12,16,22H,8,10H2,1H3,(H,23,24).
What are the key properties of 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 327.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 71143290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).