5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine

C13H17BrN4O — CID 133445612

IUPAC5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc(Br)cn1
InChIInChI=1S/C13H17BrN4O/c1-4-11-10(13(19-3)18(2)17-11)8-16-12-6-5-9(14)7-15-12/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyJJWCIJPZNVBBNE-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.76
Rot. Bonds5

About 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine

5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 133445612) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID133445612
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCCc1nn(C)c(OC)c1CNc1ccc(Br)cn1
InChIInChI=1S/C13H17BrN4O/c1-4-11-10(13(19-3)18(2)17-11)8-16-12-6-5-9(14)7-15-12/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyJJWCIJPZNVBBNE-UHFFFAOYSA-N
XLogP2.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine 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

6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 133445330
methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
CID 133445681
N-(3,4-difluorophenyl)-6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 133445569
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133445721
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
2-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 133445565
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133445558
3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine
CID 133445796
4-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133445534
5-chloro-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 133445726
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75507990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine (CID 133445612) is 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine is CCc1nn(C)c(OC)c1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is JJWCIJPZNVBBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-4-11-10(13(19-3)18(2)17-11)8-16-12-6-5-9(14)7-15-12/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 325.21 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133445612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).