1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

C16H21F2N3 — CID 103010217

IUPAC1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-3-9-19-16(7-5-13-8-10-20-21(13)2)14-11-12(17)4-6-15(14)18/h4,6,8,10-11,16,19H,3,5,7,9H2,1-2H3
InChIKeyDLQJMVCBGZPWMJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds7

About 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 103010217) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID103010217
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1cc(F)ccc1F
InChIInChI=1S/C16H21F2N3/c1-3-9-19-16(7-5-13-8-10-20-21(13)2)14-11-12(17)4-6-15(14)18/h4,6,8,10-11,16,19H,3,5,7,9H2,1-2H3
InChIKeyDLQJMVCBGZPWMJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030390
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030397
1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030404
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine (CID 103010217) is 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccnn1C)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is DLQJMVCBGZPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-3-9-19-16(7-5-13-8-10-20-21(13)2)14-11-12(17)4-6-15(14)18/h4,6,8,10-11,16,19H,3,5,7,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine?
1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103010217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).