N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine

C23H25N5O — CID 42453700

IUPACN-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H25N5O/c1-26(14-18-13-24-27(2)15-18)16-20-17-28(3)25-23(20)19-9-11-22(12-10-19)29-21-7-5-4-6-8-21/h4-13,15,17H,14,16H2,1-3H3
InChIKeyAAWCSCAVVMSXDG-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.24
Rot. Bonds7

About N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine

N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 42453700) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID42453700
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H25N5O/c1-26(14-18-13-24-27(2)15-18)16-20-17-28(3)25-23(20)19-9-11-22(12-10-19)29-21-7-5-4-6-8-21/h4-13,15,17H,14,16H2,1-3H3
InChIKeyAAWCSCAVVMSXDG-UHFFFAOYSA-N
XLogP4.24
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine with MolForge

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Related Compounds

3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine
CID 28957881
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42244283
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
(1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
CID 25455232
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 33091887
N-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 135095517
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 134000948
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine
CID 104557392

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 42453700) is N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine is CN(Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is AAWCSCAVVMSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-26(14-18-13-24-27(2)15-18)16-20-17-28(3)25-23(20)19-9-11-22(12-10-19)29-21-7-5-4-6-8-21/h4-13,15,17H,14,16H2,1-3H3.
What are the key properties of N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine?
N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 387.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 42453700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).