4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine

C11H12ClN3O2 — CID 117387074

IUPAC4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)c(OC)cc1Cl
InChIInChI=1S/C11H12ClN3O2/c1-16-9-4-8(12)10(17-2)3-6(9)7-5-14-15-11(7)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeySCAQJGARZKUJQJ-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.33
Rot. Bonds3

About 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine

4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117387074) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117387074
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(-c2cn[nH]c2N)c(OC)cc1Cl
InChIInChI=1S/C11H12ClN3O2/c1-16-9-4-8(12)10(17-2)3-6(9)7-5-14-15-11(7)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeySCAQJGARZKUJQJ-UHFFFAOYSA-N
XLogP2.33
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine (CID 117387074) is 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine is COc1cc(-c2cn[nH]c2N)c(OC)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is SCAQJGARZKUJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-16-9-4-8(12)10(17-2)3-6(9)7-5-14-15-11(7)13/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine?
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 253.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117387074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).