(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone

C9H9N3O2S — CID 114641738

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1cncs1
InChIInChI=1S/C9H9N3O2S/c1-12-8(6(14-2)3-11-12)9(13)7-4-10-5-15-7/h3-5H,1-2H3
InChIKeyWZCCUKSDZOKNGZ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.12
Rot. Bonds3

About (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone

(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 114641738) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID114641738
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1cncs1
InChIInChI=1S/C9H9N3O2S/c1-12-8(6(14-2)3-11-12)9(13)7-4-10-5-15-7/h3-5H,1-2H3
InChIKeyWZCCUKSDZOKNGZ-UHFFFAOYSA-N
XLogP1.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanone
CID 115809517
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
(2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809643
(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107996750
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
(2,4-dibromophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 107944797

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone (CID 114641738) is (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1cncs1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is WZCCUKSDZOKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-12-8(6(14-2)3-11-12)9(13)7-4-10-5-15-7/h3-5H,1-2H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone?
(4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 223.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 114641738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).