6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine

C12H15ClN4 — CID 103934431

IUPAC6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
SMILESCCn1cc(CNc2cnc(Cl)c(C)c2)cn1
InChIInChI=1S/C12H15ClN4/c1-3-17-8-10(6-16-17)5-14-11-4-9(2)12(13)15-7-11/h4,6-8,14H,3,5H2,1-2H3
InChIKeyMBCQXRHNLFTRNN-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.87
Rot. Bonds4

About 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine

6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine (PubChem CID 103934431) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
PubChem CID103934431
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
SMILESCCn1cc(CNc2cnc(Cl)c(C)c2)cn1
InChIInChI=1S/C12H15ClN4/c1-3-17-8-10(6-16-17)5-14-11-4-9(2)12(13)15-7-11/h4,6-8,14H,3,5H2,1-2H3
InChIKeyMBCQXRHNLFTRNN-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 115925226
5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 115770597
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[(1-ethylpyrazol-4-yl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 103823647
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 115914400
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine (CID 103934431) is 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine is CCn1cc(CNc2cnc(Cl)c(C)c2)cn1.
What is the InChIKey of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine?
The InChIKey is MBCQXRHNLFTRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-3-17-8-10(6-16-17)5-14-11-4-9(2)12(13)15-7-11/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine?
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine has a molecular weight of 250.73 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 103934431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).