N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine

C14H15BrN4 — CID 171104227

IUPACN-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine
SMILESCC(/N=C/C1CC1)c1c(Br)cnn1-c1ccccn1
InChIInChI=1S/C14H15BrN4/c1-10(17-8-11-5-6-11)14-12(15)9-18-19(14)13-4-2-3-7-16-13/h2-4,7-11H,5-6H2,1H3/b17-8+
InChIKeyMOGBQGPIDHBVOY-CAOOACKPSA-N
MW319.21 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine

N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine (PubChem CID 171104227) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine.

Molecular Properties

Compound NameN-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine
PubChem CID171104227
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC NameN-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine
SMILESCC(/N=C/C1CC1)c1c(Br)cnn1-c1ccccn1
InChIInChI=1S/C14H15BrN4/c1-10(17-8-11-5-6-11)14-12(15)9-18-19(14)13-4-2-3-7-16-13/h2-4,7-11H,5-6H2,1H3/b17-8+
InChIKeyMOGBQGPIDHBVOY-CAOOACKPSA-N
XLogP3.57
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 46491382
N-(5-cyclopropyl-1H-imidazol-2-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126808071
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
2-azabicyclo[2.2.1]heptan-2-yl-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 136578570
1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 5200441
N-phenyl-4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 55909796
N-[1-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38040355
N-cyclohexyl-4-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazine-1-carboxamide
CID 55651023
[3-(2-fluoroethoxy)azetidin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 126837168
1-(1-pyridin-2-ylindazol-5-yl)ethanol
CID 68814170
N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75441632

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine?
The IUPAC name of N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine (CID 171104227) is N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine.
What is the SMILES notation for N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine?
The canonical SMILES for N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine is CC(/N=C/C1CC1)c1c(Br)cnn1-c1ccccn1.
What is the InChIKey of N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine?
The InChIKey is MOGBQGPIDHBVOY-CAOOACKPSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-10(17-8-11-5-6-11)14-12(15)9-18-19(14)13-4-2-3-7-16-13/h2-4,7-11H,5-6H2,1H3/b17-8+.
What are the key properties of N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine?
N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine has a molecular weight of 319.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-pyridin-2-ylpyrazol-5-yl)ethyl]-1-cyclopropylmethanimine is sourced from PubChem (CID 171104227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).