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

C12H15N3O — CID 19618420

IUPAC5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine
SMILESCc1cccc(OCn2nc(N)cc2C)c1
InChIInChI=1S/C12H15N3O/c1-9-4-3-5-11(6-9)16-8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyWOHHUOFCDXDABE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.12
Rot. Bonds3

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

5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine (PubChem CID 19618420) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine
PubChem CID19618420
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine
SMILESCc1cccc(OCn2nc(N)cc2C)c1
InChIInChI=1S/C12H15N3O/c1-9-4-3-5-11(6-9)16-8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKeyWOHHUOFCDXDABE-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[4-(3-methylphenoxy)butyl]pyrazol-3-amine
CID 51000041
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(3-methylphenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562154
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
CID 40663342
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
6-(3-methylphenoxy)pyridin-2-amine
CID 80653068
2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine
CID 47095301
1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
CID 66011672

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine (CID 19618420) is 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine is Cc1cccc(OCn2nc(N)cc2C)c1.
What is the InChIKey of 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine?
The InChIKey is WOHHUOFCDXDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-3-5-11(6-9)16-8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine?
5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methylphenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).