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

C12H15N3O — CID 116793113

IUPACN-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
SMILESCNCc1cccc(Oc2cnn(C)c2)c1
InChIInChI=1S/C12H15N3O/c1-13-7-10-4-3-5-11(6-10)16-12-8-14-15(2)9-12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyWDDJZRKHSQOEOG-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds4

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

N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine (PubChem CID 116793113) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
PubChem CID116793113
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
SMILESCNCc1cccc(Oc2cnn(C)c2)c1
InChIInChI=1S/C12H15N3O/c1-13-7-10-4-3-5-11(6-10)16-12-8-14-15(2)9-12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyWDDJZRKHSQOEOG-UHFFFAOYSA-N
XLogP1.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116793108
4-(3-bromophenoxy)-1-methylpyrazole
CID 115047051
1-[3-(3-tert-butylphenoxy)phenyl]-N-methylmethanamine
CID 63942522
N-methyl-1-[3-(5-methylpyrimidin-2-yl)oxyphenyl]methanamine
CID 106486575
1-[3-(2,3-dihydro-1H-inden-5-yloxy)phenyl]-N-methylmethanamine
CID 63942120
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine (CID 116793113) is N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine is CNCc1cccc(Oc2cnn(C)c2)c1.
What is the InChIKey of N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
The InChIKey is WDDJZRKHSQOEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-7-10-4-3-5-11(6-10)16-12-8-14-15(2)9-12/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine?
N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylpyrazol-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 116793113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).