N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine

C16H20BrN3O — CID 43729140

IUPACN-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC2CC(c3ccccc3Br)C2)cn1
InChIInChI=1S/C16H20BrN3O/c1-21-7-6-20-11-14(10-18-20)19-13-8-12(9-13)15-4-2-3-5-16(15)17/h2-5,10-13,19H,6-9H2,1H3
InChIKeyUCULCTWQNAMFJL-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.65
Rot. Bonds6

About N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43729140) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43729140
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC2CC(c3ccccc3Br)C2)cn1
InChIInChI=1S/C16H20BrN3O/c1-21-7-6-20-11-14(10-18-20)19-13-8-12(9-13)15-4-2-3-5-16(15)17/h2-5,10-13,19H,6-9H2,1H3
InChIKeyUCULCTWQNAMFJL-UHFFFAOYSA-N
XLogP3.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43729140) is N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC2CC(c3ccccc3Br)C2)cn1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is UCULCTWQNAMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-21-7-6-20-11-14(10-18-20)19-13-8-12(9-13)15-4-2-3-5-16(15)17/h2-5,10-13,19H,6-9H2,1H3.
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43729140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).