4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine

C11H12ClN3O — CID 83912296

IUPAC4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine
SMILESCOc1ccc(-c2c(Cl)c(N)nn2C)cc1
InChIInChI=1S/C11H12ClN3O/c1-15-10(9(12)11(13)14-15)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H2,13,14)
InChIKeyKHGUJRIMRBYUKQ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.33
Rot. Bonds2

About 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine

4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine (PubChem CID 83912296) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine
PubChem CID83912296
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine
SMILESCOc1ccc(-c2c(Cl)c(N)nn2C)cc1
InChIInChI=1S/C11H12ClN3O/c1-15-10(9(12)11(13)14-15)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H2,13,14)
InChIKeyKHGUJRIMRBYUKQ-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine (CID 83912296) is 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine is COc1ccc(-c2c(Cl)c(N)nn2C)cc1.
What is the InChIKey of 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine?
The InChIKey is KHGUJRIMRBYUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-10(9(12)11(13)14-15)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine?
4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine has a molecular weight of 237.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxyphenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 83912296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).