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

C13H14BrN3 — CID 43635550

IUPACN-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
SMILESBrc1ccccc1C1CC(Nc2cn[nH]c2)C1
InChIInChI=1S/C13H14BrN3/c14-13-4-2-1-3-12(13)9-5-10(6-9)17-11-7-15-16-8-11/h1-4,7-10,17H,5-6H2,(H,15,16)
InChIKeyZISAXJUJPXOAIL-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.53
Rot. Bonds3

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

N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine (PubChem CID 43635550) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
PubChem CID43635550
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
SMILESBrc1ccccc1C1CC(Nc2cn[nH]c2)C1
InChIInChI=1S/C13H14BrN3/c14-13-4-2-1-3-12(13)9-5-10(6-9)17-11-7-15-16-8-11/h1-4,7-10,17H,5-6H2,(H,15,16)
InChIKeyZISAXJUJPXOAIL-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729140
3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
CID 43634745
N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
CID 64725037
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
CID 43687891
N-[3-(2-bromophenyl)cyclobutyl]-3-ethoxyaniline
CID 63452973
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazol-4-amine
CID 43539897
N-[3-(2-bromophenyl)cyclobutyl]-2-methylpyridin-3-amine
CID 79042350

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine (CID 43635550) is N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine is Brc1ccccc1C1CC(Nc2cn[nH]c2)C1.
What is the InChIKey of N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine?
The InChIKey is ZISAXJUJPXOAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-13-4-2-1-3-12(13)9-5-10(6-9)17-11-7-15-16-8-11/h1-4,7-10,17H,5-6H2,(H,15,16).
What are the key properties of N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine?
N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).