3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine

C11H12ClN3 — CID 81323807

IUPAC3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(Cl)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C11H12ClN3/c1-7-3-8(5-9(12)4-7)10-6-11(13)15(2)14-10/h3-6H,13H2,1-2H3
InChIKeyIBWRVQYOSGWVRR-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.63
Rot. Bonds1

About 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine

3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 81323807) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID81323807
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(Cl)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C11H12ClN3/c1-7-3-8(5-9(12)4-7)10-6-11(13)15(2)14-10/h3-6H,13H2,1-2H3
InChIKeyIBWRVQYOSGWVRR-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine (CID 81323807) is 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine is Cc1cc(Cl)cc(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is IBWRVQYOSGWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-3-8(5-9(12)4-7)10-6-11(13)15(2)14-10/h3-6H,13H2,1-2H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 221.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 81323807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).