3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C15H20ClN3 — CID 81322868

IUPAC3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCc1cc(Cl)cc(-c2nn(C)c(N)c2CC(C)C)c1
InChIInChI=1S/C15H20ClN3/c1-9(2)5-13-14(18-19(4)15(13)17)11-6-10(3)7-12(16)8-11/h6-9H,5,17H2,1-4H3
InChIKeyKUIVHAKAKDRQCF-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.83
Rot. Bonds3

About 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 81322868) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID81322868
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCc1cc(Cl)cc(-c2nn(C)c(N)c2CC(C)C)c1
InChIInChI=1S/C15H20ClN3/c1-9(2)5-13-14(18-19(4)15(13)17)11-6-10(3)7-12(16)8-11/h6-9H,5,17H2,1-4H3
InChIKeyKUIVHAKAKDRQCF-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.83
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-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 81322868) is 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is Cc1cc(Cl)cc(-c2nn(C)c(N)c2CC(C)C)c1.
What is the InChIKey of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is KUIVHAKAKDRQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-9(2)5-13-14(18-19(4)15(13)17)11-6-10(3)7-12(16)8-11/h6-9H,5,17H2,1-4H3.
What are the key properties of 3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 277.80 g/mol, XLogP of 3.83, 3 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-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 81322868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).