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

C11H10ClN3O2 — CID 105132801

IUPAC(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccncc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-15-10(9(17-2)6-14-15)11(16)7-3-4-13-5-8(7)12/h3-6H,1-2H3
InChIKeyIBTWXNKHKHVQSI-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.71
Rot. Bonds3

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

(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 105132801) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID105132801
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccncc1Cl
InChIInChI=1S/C11H10ClN3O2/c1-15-10(9(17-2)6-14-15)11(16)7-3-4-13-5-8(7)12/h3-6H,1-2H3
InChIKeyIBTWXNKHKHVQSI-UHFFFAOYSA-N
XLogP1.71
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
CID 105132628
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107996750
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 105131453
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105065086

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 105132801) is (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is IBTWXNKHKHVQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-15-10(9(17-2)6-14-15)11(16)7-3-4-13-5-8(7)12/h3-6H,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 251.67 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 105132801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).