2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine

C15H20FN3 — CID 103014697

IUPAC2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCC(CCc1cnn(C)c1)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-17-10-14(13-4-3-5-15(16)8-13)7-6-12-9-18-19(2)11-12/h3-5,8-9,11,14,17H,6-7,10H2,1-2H3
InChIKeyTUTLJKSDJFBPSU-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.49
Rot. Bonds6

About 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine

2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103014697) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103014697
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCC(CCc1cnn(C)c1)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-17-10-14(13-4-3-5-15(16)8-13)7-6-12-9-18-19(2)11-12/h3-5,8-9,11,14,17H,6-7,10H2,1-2H3
InChIKeyTUTLJKSDJFBPSU-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636
4-[4-bromo-3-(3-methylphenyl)butyl]-1-methylpyrazole
CID 103018542
4-[3-(bromomethyl)-4-(3-fluorophenyl)butyl]-1-methylpyrazole
CID 103018495
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014723
(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 96559898
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025740
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propyl]-2-methylpropan-1-amine
CID 79429956

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103014697) is 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine is CNCC(CCc1cnn(C)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is TUTLJKSDJFBPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-17-10-14(13-4-3-5-15(16)8-13)7-6-12-9-18-19(2)11-12/h3-5,8-9,11,14,17H,6-7,10H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103014697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).