N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine

C8H12BrN3 — CID 131176759

IUPACN-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
SMILESCn1nc(Br)cc1CNC1CC1
InChIInChI=1S/C8H12BrN3/c1-12-7(4-8(9)11-12)5-10-6-2-3-6/h4,6,10H,2-3,5H2,1H3
InChIKeyJLPCUCFLNCBZNV-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.43
Rot. Bonds3

About N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine

N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine (PubChem CID 131176759) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
PubChem CID131176759
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC NameN-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
SMILESCn1nc(Br)cc1CNC1CC1
InChIInChI=1S/C8H12BrN3/c1-12-7(4-8(9)11-12)5-10-6-2-3-6/h4,6,10H,2-3,5H2,1H3
InChIKeyJLPCUCFLNCBZNV-UHFFFAOYSA-N
XLogP1.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-3-nitropyrazol-5-yl)methyl]cyclopropanamine
CID 122171512
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
CID 165412148
3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine
CID 117215881
(3R)-1-[(3-bromo-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 131002740
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
CID 166449724
N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 62720879
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193219
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66117502

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine (CID 131176759) is N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine is Cn1nc(Br)cc1CNC1CC1.
What is the InChIKey of N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is JLPCUCFLNCBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-12-7(4-8(9)11-12)5-10-6-2-3-6/h4,6,10H,2-3,5H2,1H3.
What are the key properties of N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine?
N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 230.11 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 131176759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).