3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine

C16H20ClN3 — CID 43749409

IUPAC3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(Cn1cccn1)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H20ClN3/c1-12(11-20-7-3-6-18-20)19-16-9-14(10-16)13-4-2-5-15(17)8-13/h2-8,12,14,16,19H,9-11H2,1H3
InChIKeyVTVUCXOVABEKIJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.46
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine

3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 43749409) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID43749409
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(Cn1cccn1)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H20ClN3/c1-12(11-20-7-3-6-18-20)19-16-9-14(10-16)13-4-2-5-15(17)8-13/h2-8,12,14,16,19H,9-11H2,1H3
InChIKeyVTVUCXOVABEKIJ-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine (CID 43749409) is 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine is CC(Cn1cccn1)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is VTVUCXOVABEKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12(11-20-7-3-6-18-20)19-16-9-14(10-16)13-4-2-5-15(17)8-13/h2-8,12,14,16,19H,9-11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine?
3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 43749409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).