5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride

C10H12ClN3O — CID 13303416

IUPAC5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2N)c1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-14-8-4-2-3-7(5-8)10-9(11)6-12-13-10;/h2-6H,11H2,1H3,(H,12,13);1H
InChIKeyALPUCJLWWKTBCP-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.09
Rot. Bonds2

About 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride

5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride (PubChem CID 13303416) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
PubChem CID13303416
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCOc1cccc(-c2[nH]ncc2N)c1.Cl
InChIInChI=1S/C10H11N3O.ClH/c1-14-8-4-2-3-7(5-8)10-9(11)6-12-13-10;/h2-6H,11H2,1H3,(H,12,13);1H
InChIKeyALPUCJLWWKTBCP-UHFFFAOYSA-N
XLogP2.09
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride?
The IUPAC name of 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride (CID 13303416) is 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride is COc1cccc(-c2[nH]ncc2N)c1.Cl.
What is the InChIKey of 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is ALPUCJLWWKTBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c1-14-8-4-2-3-7(5-8)10-9(11)6-12-13-10;/h2-6H,11H2,1H3,(H,12,13);1H.
What are the key properties of 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride?
5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 13303416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).