[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine

C14H16BrN3 — CID 116819017

IUPAC[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
SMILESCc1c(Br)c(C2(CN)CC2)nn1-c1ccccc1
InChIInChI=1S/C14H16BrN3/c1-10-12(15)13(14(9-16)7-8-14)17-18(10)11-5-3-2-4-6-11/h2-6H,7-9,16H2,1H3
InChIKeyOOYFQHJMQGHYMH-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.93
Rot. Bonds3

About [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine

[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine (PubChem CID 116819017) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
PubChem CID116819017
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
SMILESCc1c(Br)c(C2(CN)CC2)nn1-c1ccccc1
InChIInChI=1S/C14H16BrN3/c1-10-12(15)13(14(9-16)7-8-14)17-18(10)11-5-3-2-4-6-11/h2-6H,7-9,16H2,1H3
InChIKeyOOYFQHJMQGHYMH-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-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116819019
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818525
2-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)-2-methylpropanoic acid
CID 116818938
2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818979
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119568245
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
CID 116818988
[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818468
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluoroethanamine
CID 115039542
[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818996
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine (CID 116819017) is [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine is Cc1c(Br)c(C2(CN)CC2)nn1-c1ccccc1.
What is the InChIKey of [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine?
The InChIKey is OOYFQHJMQGHYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-12(15)13(14(9-16)7-8-14)17-18(10)11-5-3-2-4-6-11/h2-6H,7-9,16H2,1H3.
What are the key properties of [1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine?
[1-(4-bromo-5-methyl-1-phenylpyrazol-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-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116819017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).