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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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).