5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine

C12H15N3O — CID 82079012

IUPAC5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
SMILESCc1ccc(OCc2cc(N)n[nH]2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-8-3-4-11(9(2)5-8)16-7-10-6-12(13)15-14-10/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyIIKIVMDQXKEAKZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.19
Rot. Bonds3

About 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine

5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine (PubChem CID 82079012) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
PubChem CID82079012
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
SMILESCc1ccc(OCc2cc(N)n[nH]2)c(C)c1
InChIInChI=1S/C12H15N3O/c1-8-3-4-11(9(2)5-8)16-7-10-6-12(13)15-14-10/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyIIKIVMDQXKEAKZ-UHFFFAOYSA-N
XLogP2.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,4,6-trimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082176
5-[(4-chloro-3-methylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82083976
5-(quinolin-8-yloxymethyl)-1H-pyrazol-3-amine
CID 82084486
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082161
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820091
3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]aniline
CID 54853417
1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
CID 19618300
1-[(2,4-dimethylphenoxy)methyl]-5-methylpyrazol-3-amine
CID 19618412
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine (CID 82079012) is 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine is Cc1ccc(OCc2cc(N)n[nH]2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine?
The InChIKey is IIKIVMDQXKEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-3-4-11(9(2)5-8)16-7-10-6-12(13)15-14-10/h3-6H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine?
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82079012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).