1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C16H21F2N3 — CID 105175964

IUPAC1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C16H21F2N3/c1-10-14(11(2)21(4)20-10)9-13(19-3)7-12-5-6-15(17)16(18)8-12/h5-6,8,13,19H,7,9H2,1-4H3
InChIKeyNTAHNZZWNYKQRK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.69
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105175964) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105175964
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1ccc(F)c(F)c1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C16H21F2N3/c1-10-14(11(2)21(4)20-10)9-13(19-3)7-12-5-6-15(17)16(18)8-12/h5-6,8,13,19H,7,9H2,1-4H3
InChIKeyNTAHNZZWNYKQRK-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
1-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
CID 115822649
1-(3,4-difluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82923060
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
1-(3,4-difluorophenyl)-N-methylpent-4-yn-2-amine
CID 114977659
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105175964) is 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is CNC(Cc1ccc(F)c(F)c1)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is NTAHNZZWNYKQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-10-14(11(2)21(4)20-10)9-13(19-3)7-12-5-6-15(17)16(18)8-12/h5-6,8,13,19H,7,9H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 293.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105175964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).