1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C16H21F2N3 — CID 103030178

IUPAC1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1cccc(F)c1F
InChIInChI=1S/C16H21F2N3/c1-3-9-19-15(8-7-12-10-20-21(2)11-12)13-5-4-6-14(17)16(13)18/h4-6,10-11,15,19H,3,7-9H2,1-2H3
InChIKeyVEOSPGNUZVLLAH-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds7

About 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 103030178) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID103030178
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1cccc(F)c1F
InChIInChI=1S/C16H21F2N3/c1-3-9-19-15(8-7-12-10-20-21(2)11-12)13-5-4-6-14(17)16(13)18/h4-6,10-11,15,19H,3,7-9H2,1-2H3
InChIKeyVEOSPGNUZVLLAH-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-fluorobenzyl)-1H-pyrazol-4-amine
CID 4362222
Fezolamine
CID 54567
MK-1925
CID 44178080
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
1-(4-Fluorobenzyl)-1H-pyrazol-4-amine hydrochloride
CID 16192840
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
3-(4-Fluoro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11391654
2-Isopropyl-3-(4-trifluoromethyl-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11393128

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 103030178) is 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is VEOSPGNUZVLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-3-9-19-15(8-7-12-10-20-21(2)11-12)13-5-4-6-14(17)16(13)18/h4-6,10-11,15,19H,3,7-9H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-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-(2,3-difluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103030178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).