5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine

C11H13BrN4 — CID 115770597

IUPAC5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCCn1cc(CNc2cncc(Br)c2)cn1
InChIInChI=1S/C11H13BrN4/c1-2-16-8-9(5-15-16)4-14-11-3-10(12)6-13-7-11/h3,5-8,14H,2,4H2,1H3
InChIKeyNBSWIIWAFOSYFF-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine

5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 115770597) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID115770597
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCCn1cc(CNc2cncc(Br)c2)cn1
InChIInChI=1S/C11H13BrN4/c1-2-16-8-9(5-15-16)4-14-11-3-10(12)6-13-7-11/h3,5-8,14H,2,4H2,1H3
InChIKeyNBSWIIWAFOSYFF-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
2,4,6-tribromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126001
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103934431
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
5-bromo-2-[(1-ethylpyrazol-4-yl)methylamino]benzonitrile
CID 82708679
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine (CID 115770597) is 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine is CCn1cc(CNc2cncc(Br)c2)cn1.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is NBSWIIWAFOSYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-16-8-9(5-15-16)4-14-11-3-10(12)6-13-7-11/h3,5-8,14H,2,4H2,1H3.
What are the key properties of 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine?
5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 281.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 115770597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).