N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine

C10H16BrN3 — CID 62130109

IUPACN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
SMILESCc1nn(CCNC2CC2)c(C)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-10(11)8(2)14(13-7)6-5-12-9-3-4-9/h9,12H,3-6H2,1-2H3
InChIKeyCKTKCAHWBWTLEG-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.01
Rot. Bonds4

About N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine (PubChem CID 62130109) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
PubChem CID62130109
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
SMILESCc1nn(CCNC2CC2)c(C)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-10(11)8(2)14(13-7)6-5-12-9-3-4-9/h9,12H,3-6H2,1-2H3
InChIKeyCKTKCAHWBWTLEG-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62565084
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CID 55088130
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
CID 19616349
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62566583
4-bromo-N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]aniline
CID 62566398
N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclopentanamine
CID 55088429
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
4-bromo-3,5-dimethyl-1-(2-methylsulfanylethyl)pyrazole
CID 115773469
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79576357
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19561565
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine (CID 62130109) is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine is Cc1nn(CCNC2CC2)c(C)c1Br.
What is the InChIKey of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine?
The InChIKey is CKTKCAHWBWTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-10(11)8(2)14(13-7)6-5-12-9-3-4-9/h9,12H,3-6H2,1-2H3.
What are the key properties of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine?
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine has a molecular weight of 258.16 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 62130109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).