3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline

C13H17N3O — CID 43672041

IUPAC3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCOCc1cccc(NCc2cnn(C)c2)c1
InChIInChI=1S/C13H17N3O/c1-16-9-12(8-15-16)7-14-13-5-3-4-11(6-13)10-17-2/h3-6,8-9,14H,7,10H2,1-2H3
InChIKeyFSMDQESJFLCRQZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds5

About 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline

3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 43672041) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID43672041
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCOCc1cccc(NCc2cnn(C)c2)c1
InChIInChI=1S/C13H17N3O/c1-16-9-12(8-15-16)7-14-13-5-3-4-11(6-13)10-17-2/h3-6,8-9,14H,7,10H2,1-2H3
InChIKeyFSMDQESJFLCRQZ-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(1-methylpyrazol-4-yl)methyl]-3-methylsulfonylaniline
CID 54861574
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(methoxymethyl)aniline
CID 54965119
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
3-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103015173

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 43672041) is 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline is COCc1cccc(NCc2cnn(C)c2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is FSMDQESJFLCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-9-12(8-15-16)7-14-13-5-3-4-11(6-13)10-17-2/h3-6,8-9,14H,7,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 231.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43672041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).