4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine

C13H17N3O2 — CID 117370721

IUPAC4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C)c(OC)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C13H17N3O2/c1-7-5-10(17-3)8(2)11(12(7)18-4)9-6-15-16-13(9)14/h5-6H,1-4H3,(H3,14,15,16)
InChIKeyRGJJZBZADAPCKQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.29
Rot. Bonds3

About 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine

4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine (PubChem CID 117370721) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
PubChem CID117370721
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C)c(OC)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C13H17N3O2/c1-7-5-10(17-3)8(2)11(12(7)18-4)9-6-15-16-13(9)14/h5-6H,1-4H3,(H3,14,15,16)
InChIKeyRGJJZBZADAPCKQ-UHFFFAOYSA-N
XLogP2.29
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452223
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937
2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
CID 115112091
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine (CID 117370721) is 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine is COc1cc(C)c(OC)c(-c2cn[nH]c2N)c1C.
What is the InChIKey of 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine?
The InChIKey is RGJJZBZADAPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-5-10(17-3)8(2)11(12(7)18-4)9-6-15-16-13(9)14/h5-6H,1-4H3,(H3,14,15,16).
What are the key properties of 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine?
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117370721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).