N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine

C14H24BrN3 — CID 79025751

IUPACN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCc1nn(C)c(CN(CCC(C)C)C2CC2)c1Br
InChIInChI=1S/C14H24BrN3/c1-10(2)7-8-18(12-5-6-12)9-13-14(15)11(3)16-17(13)4/h10,12H,5-9H2,1-4H3
InChIKeyCDVBAVQUPXNCJO-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.50
Rot. Bonds6

About N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine (PubChem CID 79025751) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine
PubChem CID79025751
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCc1nn(C)c(CN(CCC(C)C)C2CC2)c1Br
InChIInChI=1S/C14H24BrN3/c1-10(2)7-8-18(12-5-6-12)9-13-14(15)11(3)16-17(13)4/h10,12H,5-9H2,1-4H3
InChIKeyCDVBAVQUPXNCJO-UHFFFAOYSA-N
XLogP3.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl-cyclobutylamino]ethanol
CID 102869682
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
N-(2-bromoethyl)-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopentanamine
CID 80673564
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836581
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
CID 79088051
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-methylhexan-1-amine
CID 113287507
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81016090
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79659153
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976270
4-bromo-5-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 79183615

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine (CID 79025751) is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine is Cc1nn(C)c(CN(CCC(C)C)C2CC2)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is CDVBAVQUPXNCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-10(2)7-8-18(12-5-6-12)9-13-14(15)11(3)16-17(13)4/h10,12H,5-9H2,1-4H3.
What are the key properties of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine?
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine has a molecular weight of 314.27 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 79025751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).