N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine

C21H25N3O — CID 23723277

IUPACN-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-16(2)23(3)14-18-15-24(4)22-21(18)17-10-12-20(13-11-17)25-19-8-6-5-7-9-19/h5-13,15-16H,14H2,1-4H3
InChIKeyAMXSOXUVQUNKDK-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.72
Rot. Bonds6

About N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine

N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 23723277) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID23723277
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H25N3O/c1-16(2)23(3)14-18-15-24(4)22-21(18)17-10-12-20(13-11-17)25-19-8-6-5-7-9-19/h5-13,15-16H,14H2,1-4H3
InChIKeyAMXSOXUVQUNKDK-UHFFFAOYSA-N
XLogP4.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine (CID 23723277) is N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine is CC(C)N(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is AMXSOXUVQUNKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16(2)23(3)14-18-15-24(4)22-21(18)17-10-12-20(13-11-17)25-19-8-6-5-7-9-19/h5-13,15-16H,14H2,1-4H3.
What are the key properties of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 335.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 23723277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).