1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine

C13H17BrN4 — CID 105182840

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(NC)c1cccnc1C
InChIInChI=1S/C13H17BrN4/c1-4-18-13(11(14)8-17-18)12(15-3)10-6-5-7-16-9(10)2/h5-8,12,15H,4H2,1-3H3
InChIKeyVSTYUEXVJQLJAJ-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine (PubChem CID 105182840) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
PubChem CID105182840
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
SMILESCCn1ncc(Br)c1C(NC)c1cccnc1C
InChIInChI=1S/C13H17BrN4/c1-4-18-13(11(14)8-17-18)12(15-3)10-6-5-7-16-9(10)2/h5-8,12,15H,4H2,1-3H3
InChIKeyVSTYUEXVJQLJAJ-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105182831
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114653033
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105040192
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-bromophenyl)-N-methylmethanamine
CID 114647377
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)-N-methylmethanamine
CID 105183041
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105040126
[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263858
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103128185

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine (CID 105182840) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine is CCn1ncc(Br)c1C(NC)c1cccnc1C.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is VSTYUEXVJQLJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-4-18-13(11(14)8-17-18)12(15-3)10-6-5-7-16-9(10)2/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 309.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105182840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).