3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine

C13H17N3O — CID 43158798

IUPAC3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
SMILESCOc1cc(-c2nn(C)c(N)c2C)ccc1C
InChIInChI=1S/C13H17N3O/c1-8-5-6-10(7-11(8)17-4)12-9(2)13(14)16(3)15-12/h5-7H,14H2,1-4H3
InChIKeyCMMRMKKTGCIUDW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds2

About 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine

3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine (PubChem CID 43158798) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
PubChem CID43158798
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
SMILESCOc1cc(-c2nn(C)c(N)c2C)ccc1C
InChIInChI=1S/C13H17N3O/c1-8-5-6-10(7-11(8)17-4)12-9(2)13(14)16(3)15-12/h5-7H,14H2,1-4H3
InChIKeyCMMRMKKTGCIUDW-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine (CID 43158798) is 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine is COc1cc(-c2nn(C)c(N)c2C)ccc1C.
What is the InChIKey of 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is CMMRMKKTGCIUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-6-10(7-11(8)17-4)12-9(2)13(14)16(3)15-12/h5-7H,14H2,1-4H3.
What are the key properties of 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine?
3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 43158798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).