1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine

C12H15N3O — CID 117217148

IUPAC1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
SMILESCc1ccccc1OCc1cc(N)nn1C
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-11(9)16-8-10-7-12(13)14-15(10)2/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyGNFHMDPJDMTJJB-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds3

About 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine

1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine (PubChem CID 117217148) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
PubChem CID117217148
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine
SMILESCc1ccccc1OCc1cc(N)nn1C
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-11(9)16-8-10-7-12(13)14-15(10)2/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyGNFHMDPJDMTJJB-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
CID 122171360
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
3-[(2-methylphenoxy)methyl]-1-propan-2-ylpyrazol-5-amine
CID 117216038
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
CID 58858055
1-methyl-5-[[2-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid
CID 117217154
7-chloro-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256505
1-methyl-5-[(2,4,5-trimethylphenoxy)methyl]pyrazole-3-carboxylic acid
CID 82093641
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82474889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine (CID 117217148) is 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine is Cc1ccccc1OCc1cc(N)nn1C.
What is the InChIKey of 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine?
The InChIKey is GNFHMDPJDMTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-3-4-6-11(9)16-8-10-7-12(13)14-15(10)2/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine?
1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylphenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 117217148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).