1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine

C15H19F2N3 — CID 103010345

IUPAC1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3/c1-18-14(6-3-11-9-19-20(2)10-11)7-12-4-5-13(16)8-15(12)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyNEEPPUXHIAWCOM-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.46
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine

1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103010345) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103010345
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)Cc1ccc(F)cc1F
InChIInChI=1S/C15H19F2N3/c1-18-14(6-3-11-9-19-20(2)10-11)7-12-4-5-13(16)8-15(12)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3
InChIKeyNEEPPUXHIAWCOM-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877670
1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105117577
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103010345) is 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine is CNC(CCc1cnn(C)c1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is NEEPPUXHIAWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-18-14(6-3-11-9-19-20(2)10-11)7-12-4-5-13(16)8-15(12)17/h4-5,8-10,14,18H,3,6-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine?
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103010345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).