1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

C15H18BrN5 — CID 103128186

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCCn1ncc(Br)c1C(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C15H18BrN5/c1-4-21-15(11(16)9-18-21)14(17-2)13-10-7-5-6-8-12(10)20(3)19-13/h5-9,14,17H,4H2,1-3H3
InChIKeyRHLIBJBZXDUBME-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (PubChem CID 103128186) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
PubChem CID103128186
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
SMILESCCn1ncc(Br)c1C(NC)c1nn(C)c2ccccc12
InChIInChI=1S/C15H18BrN5/c1-4-21-15(11(16)9-18-21)14(17-2)13-10-7-5-6-8-12(10)20(3)19-13/h5-9,14,17H,4H2,1-3H3
InChIKeyRHLIBJBZXDUBME-UHFFFAOYSA-N
XLogP2.86
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromo-1-methylpyrazol-5-yl)-(1-methylindazol-3-yl)methyl]hydrazine
CID 103129989
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 114219349
N-methyl-1-(1-methylindazol-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 103128167
1-(4-ethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126508
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105040192
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105182837
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105182840
1-(3,5-dimethylphenyl)-N-methyl-1-(1-methylindazol-3-yl)methanamine
CID 103126239

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine (CID 103128186) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is CCn1ncc(Br)c1C(NC)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
The InChIKey is RHLIBJBZXDUBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-4-21-15(11(16)9-18-21)14(17-2)13-10-7-5-6-8-12(10)20(3)19-13/h5-9,14,17H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine has a molecular weight of 348.25 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103128186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).