5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine

C10H12N4O — CID 23298702

IUPAC5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
SMILESCOc1cccc(-c2[nH]nc(N)c2N)c1
InChIInChI=1S/C10H12N4O/c1-15-7-4-2-3-6(5-7)9-8(11)10(12)14-13-9/h2-5H,11H2,1H3,(H3,12,13,14)
InChIKeyACDKNYOWHRYILW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.25
Rot. Bonds2

About 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine

5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine (PubChem CID 23298702) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
PubChem CID23298702
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine
SMILESCOc1cccc(-c2[nH]nc(N)c2N)c1
InChIInChI=1S/C10H12N4O/c1-15-7-4-2-3-6(5-7)9-8(11)10(12)14-13-9/h2-5H,11H2,1H3,(H3,12,13,14)
InChIKeyACDKNYOWHRYILW-UHFFFAOYSA-N
XLogP1.25
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine (CID 23298702) is 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine is COc1cccc(-c2[nH]nc(N)c2N)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
The InChIKey is ACDKNYOWHRYILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-7-4-2-3-6(5-7)9-8(11)10(12)14-13-9/h2-5H,11H2,1H3,(H3,12,13,14).
What are the key properties of 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine?
5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 23298702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).