N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C14H17BrN4 — CID 55059405

IUPACN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1nn(-c2cccc(CNC3CC3)n2)c(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-9-14(15)10(2)19(18-9)13-5-3-4-12(17-13)8-16-11-6-7-11/h3-5,11,16H,6-8H2,1-2H3
InChIKeyAWDFOSYSZCPYQN-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.90
Rot. Bonds4

About N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 55059405) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID55059405
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1nn(-c2cccc(CNC3CC3)n2)c(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-9-14(15)10(2)19(18-9)13-5-3-4-12(17-13)8-16-11-6-7-11/h3-5,11,16H,6-8H2,1-2H3
InChIKeyAWDFOSYSZCPYQN-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(3,4,5-trimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059038
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62287746
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62286910
N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]cyclopropanamine
CID 62293253
N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62287034
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114412519
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 55059648
N-[[6-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63159883
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 65324562
N-[[6-[4-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methyl]cyclopropanamine
CID 62776079

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 55059405) is N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is Cc1nn(-c2cccc(CNC3CC3)n2)c(C)c1Br.
What is the InChIKey of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AWDFOSYSZCPYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-9-14(15)10(2)19(18-9)13-5-3-4-12(17-13)8-16-11-6-7-11/h3-5,11,16H,6-8H2,1-2H3.
What are the key properties of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 321.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 55059405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).