(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone

C12H12ClN3O2 — CID 105130385

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cccnc1OC
InChIInChI=1S/C12H12ClN3O2/c1-3-16-10(9(13)7-15-16)11(17)8-5-4-6-14-12(8)18-2/h4-7H,3H2,1-2H3
InChIKeyKYZGIDNRLMNIQM-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.19
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone (PubChem CID 105130385) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
PubChem CID105130385
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cccnc1OC
InChIInChI=1S/C12H12ClN3O2/c1-3-16-10(9(13)7-15-16)11(17)8-5-4-6-14-12(8)18-2/h4-7H,3H2,1-2H3
InChIKeyKYZGIDNRLMNIQM-UHFFFAOYSA-N
XLogP2.19
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
CID 114642059
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 105129674
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 57229861

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone (CID 105130385) is (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone is CCn1ncc(Cl)c1C(=O)c1cccnc1OC.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is KYZGIDNRLMNIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-3-16-10(9(13)7-15-16)11(17)8-5-4-6-14-12(8)18-2/h4-7H,3H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 265.70 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 105130385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).