1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine

C13H17BrN4 — CID 114649534

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCCn1ncc(Br)c1C(Cc1ccncc1)NC
InChIInChI=1S/C13H17BrN4/c1-3-18-13(11(14)9-17-18)12(15-2)8-10-4-6-16-7-5-10/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyBIABLQYZQNJOSC-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 114649534) 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-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID114649534
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCCn1ncc(Br)c1C(Cc1ccncc1)NC
InChIInChI=1S/C13H17BrN4/c1-3-18-13(11(14)9-17-18)12(15-2)8-10-4-6-16-7-5-10/h4-7,9,12,15H,3,8H2,1-2H3
InChIKeyBIABLQYZQNJOSC-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648284
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-bromophenyl)sulfanyl-N-methylethanamine
CID 114656321
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)-N-methylethanamine
CID 114647359
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine
CID 114646096
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 105160538
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
1-(4-bromo-1-propylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648363
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105182831
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105183012
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine (CID 114649534) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine is CCn1ncc(Br)c1C(Cc1ccncc1)NC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is BIABLQYZQNJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-3-18-13(11(14)9-17-18)12(15-2)8-10-4-6-16-7-5-10/h4-7,9,12,15H,3,8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.56, 5 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-2-pyridin-4-ylethanamine is sourced from PubChem (CID 114649534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).