3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

C15H18ClN3 — CID 82882566

IUPAC3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ccc(CNC2CC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C15H18ClN3/c1-19-7-6-14(18-19)10-17-15-8-12(9-15)11-2-4-13(16)5-3-11/h2-7,12,15,17H,8-10H2,1H3
InChIKeyOMDQSDLVXVKLMR-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.11
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine

3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 82882566) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID82882566
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ccc(CNC2CC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C15H18ClN3/c1-19-7-6-14(18-19)10-17-15-8-12(9-15)11-2-4-13(16)5-3-11/h2-7,12,15,17H,8-10H2,1H3
InChIKeyOMDQSDLVXVKLMR-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine (CID 82882566) is 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is Cn1ccc(CNC2CC(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is OMDQSDLVXVKLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-19-7-6-14(18-19)10-17-15-8-12(9-15)11-2-4-13(16)5-3-11/h2-7,12,15,17H,8-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine?
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 82882566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).