N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine

C16H24N4O — CID 61418169

IUPACN-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H24N4O/c1-12-14(10-17-2)16(20(4)18-12)19(3)11-13-8-6-7-9-15(13)21-5/h6-9,17H,10-11H2,1-5H3
InChIKeyXPFDGTDGKCSOSH-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.09
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine

N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine (PubChem CID 61418169) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
PubChem CID61418169
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H24N4O/c1-12-14(10-17-2)16(20(4)18-12)19(3)11-13-8-6-7-9-15(13)21-5/h6-9,17H,10-11H2,1-5H3
InChIKeyXPFDGTDGKCSOSH-UHFFFAOYSA-N
XLogP2.09
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61417546
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61422601
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
N-[(2-bromophenyl)methyl]-4-(chloromethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416100
3-ethyl-1-[(2-methoxyphenyl)methyl]-1-methyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111281495
5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 65485261
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
CID 63753001
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416689
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 171130164
4-[[(2-chlorophenyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104667

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine (CID 61418169) is N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine is CNCc1c(C)nn(C)c1N(C)Cc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
The InChIKey is XPFDGTDGKCSOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-14(10-17-2)16(20(4)18-12)19(3)11-13-8-6-7-9-15(13)21-5/h6-9,17H,10-11H2,1-5H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine?
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine has a molecular weight of 288.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 61418169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).