1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

C13H15BrN6 — CID 103128185

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESCCn1ncc(Br)c1C(NC)c1cnn2ccncc12
InChIInChI=1S/C13H15BrN6/c1-3-19-13(10(14)7-18-19)12(15-2)9-6-17-20-5-4-16-8-11(9)20/h4-8,12,15H,3H2,1-2H3
InChIKeyKKECYKNDIWAUQB-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (PubChem CID 103128185) has the molecular formula C13H15BrN6 and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
PubChem CID103128185
Molecular FormulaC13H15BrN6
Molecular Weight335.21 g/mol
Exact Mass334.05
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESCCn1ncc(Br)c1C(NC)c1cnn2ccncc12
InChIInChI=1S/C13H15BrN6/c1-3-19-13(10(14)7-18-19)12(15-2)9-6-17-20-5-4-16-8-11(9)20/h4-8,12,15H,3H2,1-2H3
InChIKeyKKECYKNDIWAUQB-UHFFFAOYSA-N
XLogP2.02
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine 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

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128278
(4-bromo-1-propylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103129218
N-methyl-1-(1-methylimidazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103127194
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105182840
N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126562
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103127976
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105182831
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114653033
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114649534

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (CID 103128185) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is CCn1ncc(Br)c1C(NC)c1cnn2ccncc12.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The InChIKey is KKECYKNDIWAUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN6/c1-3-19-13(10(14)7-18-19)12(15-2)9-6-17-20-5-4-16-8-11(9)20/h4-8,12,15H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine has a molecular weight of 335.21 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is sourced from PubChem (CID 103128185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).