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

C19H19F2N3 — CID 11348006

IUPAC3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3/c1-22-9-8-17(15-6-7-18(20)19(21)10-15)14-4-2-13(3-5-14)16-11-23-24-12-16/h2-7,10-12,17,22H,8-9H2,1H3,(H,23,24)
InChIKeyMSRWMOWZENJWHN-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.10
Rot. Bonds6

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

3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 11348006) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID11348006
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3/c1-22-9-8-17(15-6-7-18(20)19(21)10-15)14-4-2-13(3-5-14)16-11-23-24-12-16/h2-7,10-12,17,22H,8-9H2,1H3,(H,23,24)
InChIKeyMSRWMOWZENJWHN-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 11348006) is 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is CNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is MSRWMOWZENJWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-22-9-8-17(15-6-7-18(20)19(21)10-15)14-4-2-13(3-5-14)16-11-23-24-12-16/h2-7,10-12,17,22H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(3,4-difluorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 327.38 g/mol, XLogP of 4.10, 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-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 11348006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).