(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

C12H11Cl2N3O2 — CID 114641511

IUPAC(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2/c1-3-17-11(9(19-2)6-16-17)12(18)10-8(14)4-7(13)5-15-10/h4-6H,3H2,1-2H3
InChIKeyWZEMTIJCWMGJAL-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.84
Rot. Bonds4

About (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (PubChem CID 114641511) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
PubChem CID114641511
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2/c1-3-17-11(9(19-2)6-16-17)12(18)10-8(14)4-7(13)5-15-10/h4-6H,3H2,1-2H3
InChIKeyWZEMTIJCWMGJAL-UHFFFAOYSA-N
XLogP2.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641940
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
(5-bromothiophen-3-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105133000
(3,5-dichloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421518
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
[4-(dimethylamino)phenyl]-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 105132998
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115810337

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (CID 114641511) is (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is CCn1ncc(OC)c1C(=O)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The InChIKey is WZEMTIJCWMGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-3-17-11(9(19-2)6-16-17)12(18)10-8(14)4-7(13)5-15-10/h4-6H,3H2,1-2H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone has a molecular weight of 300.15 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is sourced from PubChem (CID 114641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).