N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C16H22FN3 — CID 79492268

IUPACN-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(F)ccc1-c1nn(C)cc1CNC(C)(C)C
InChIInChI=1S/C16H22FN3/c1-11-8-13(17)6-7-14(11)15-12(10-20(5)19-15)9-18-16(2,3)4/h6-8,10,18H,9H2,1-5H3
InChIKeyMNERJOARORTVDU-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.42
Rot. Bonds3

About N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79492268) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79492268
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(F)ccc1-c1nn(C)cc1CNC(C)(C)C
InChIInChI=1S/C16H22FN3/c1-11-8-13(17)6-7-14(11)15-12(10-20(5)19-15)9-18-16(2,3)4/h6-8,10,18H,9H2,1-5H3
InChIKeyMNERJOARORTVDU-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79492268) is N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1cc(F)ccc1-c1nn(C)cc1CNC(C)(C)C.
What is the InChIKey of N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MNERJOARORTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11-8-13(17)6-7-14(11)15-12(10-20(5)19-15)9-18-16(2,3)4/h6-8,10,18H,9H2,1-5H3.
What are the key properties of N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79492268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).