1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine

C15H19N3 — CID 43635519

IUPAC1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine
SMILESCc1ccccc1C1CC(Nc2cnn(C)c2)C1
InChIInChI=1S/C15H19N3/c1-11-5-3-4-6-15(11)12-7-13(8-12)17-14-9-16-18(2)10-14/h3-6,9-10,12-13,17H,7-8H2,1-2H3
InChIKeyTXRUTSDQJQZFEW-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.09
Rot. Bonds3

About 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine

1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine (PubChem CID 43635519) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine
PubChem CID43635519
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine
SMILESCc1ccccc1C1CC(Nc2cnn(C)c2)C1
InChIInChI=1S/C15H19N3/c1-11-5-3-4-6-15(11)12-7-13(8-12)17-14-9-16-18(2)10-14/h3-6,9-10,12-13,17H,7-8H2,1-2H3
InChIKeyTXRUTSDQJQZFEW-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine (CID 43635519) is 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine is Cc1ccccc1C1CC(Nc2cnn(C)c2)C1.
What is the InChIKey of 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine?
The InChIKey is TXRUTSDQJQZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-5-3-4-6-15(11)12-7-13(8-12)17-14-9-16-18(2)10-14/h3-6,9-10,12-13,17H,7-8H2,1-2H3.
What are the key properties of 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine?
1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-methylphenyl)cyclobutyl]pyrazol-4-amine is sourced from PubChem (CID 43635519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).