[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine

C14H16BrN3 — CID 116818525

IUPAC[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1cc(C2(CN)CC2)nn1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3/c1-10-7-13(14(9-16)5-6-14)17-18(10)12-4-2-3-11(15)8-12/h2-4,7-8H,5-6,9,16H2,1H3
InChIKeyYVQFDTDYVUFCTB-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.93
Rot. Bonds3

About [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine

[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine (PubChem CID 116818525) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
PubChem CID116818525
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1cc(C2(CN)CC2)nn1-c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3/c1-10-7-13(14(9-16)5-6-14)17-18(10)12-4-2-3-11(15)8-12/h2-4,7-8H,5-6,9,16H2,1H3
InChIKeyYVQFDTDYVUFCTB-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818515
[1-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818504
2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
CID 82093865
[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116819019
2-[2-(3-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489374
1-(3-bromophenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82422054
[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
CID 116819017
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine
CID 82528324
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
1-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 61270772

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine (CID 116818525) is [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine is Cc1cc(C2(CN)CC2)nn1-c1cccc(Br)c1.
What is the InChIKey of [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
The InChIKey is YVQFDTDYVUFCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-7-13(14(9-16)5-6-14)17-18(10)12-4-2-3-11(15)8-12/h2-4,7-8H,5-6,9,16H2,1H3.
What are the key properties of [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine?
[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine has a molecular weight of 306.21 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116818525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).