2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine

C13H16ClN3 — CID 62470807

IUPAC2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCCc1c(C)nn(Cc2ccnc(Cl)c2)c1C
InChIInChI=1S/C13H16ClN3/c1-4-12-9(2)16-17(10(12)3)8-11-5-6-15-13(14)7-11/h5-7H,4,8H2,1-3H3
InChIKeyQLBCVVSEOCRIOS-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine

2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 62470807) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID62470807
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCCc1c(C)nn(Cc2ccnc(Cl)c2)c1C
InChIInChI=1S/C13H16ClN3/c1-4-12-9(2)16-17(10(12)3)8-11-5-6-15-13(14)7-11/h5-7H,4,8H2,1-3H3
InChIKeyQLBCVVSEOCRIOS-UHFFFAOYSA-N
XLogP3.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62471489
2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one
CID 62923727
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloropyridine-4-carboxamide
CID 34306724
3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 61237412
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785930
5-chloro-4-ethyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66023029
3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79225299
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one
CID 114395577
5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 104809178
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 62470807) is 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine is CCc1c(C)nn(Cc2ccnc(Cl)c2)c1C.
What is the InChIKey of 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is QLBCVVSEOCRIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-4-12-9(2)16-17(10(12)3)8-11-5-6-15-13(14)7-11/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 249.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 62470807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).