[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone

C14H17ClN2O3 — CID 115815279

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C14H17ClN2O3/c1-8-9(2)20-10(3)12(8)14(18)13-11(15)7-16-17(13)5-6-19-4/h7H,5-6H2,1-4H3
InChIKeyZHGHIIHQNLFGKJ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.93
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 115815279) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID115815279
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C14H17ClN2O3/c1-8-9(2)20-10(3)12(8)14(18)13-11(15)7-16-17(13)5-6-19-4/h7H,5-6H2,1-4H3
InChIKeyZHGHIIHQNLFGKJ-UHFFFAOYSA-N
XLogP2.93
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-2,6-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815191
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methanone
CID 115815253
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanone
CID 115805956
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 114641768
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethylfuran-3-yl)methanone
CID 114104126
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
(3-bromo-5-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107944833
(4-amino-3-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669775
(2-bromo-5-methoxyphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 105135470

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone (CID 115815279) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone is COCCn1ncc(Cl)c1C(=O)c1c(C)oc(C)c1C.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is ZHGHIIHQNLFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-9(2)20-10(3)12(8)14(18)13-11(15)7-16-17(13)5-6-19-4/h7H,5-6H2,1-4H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 296.75 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 115815279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).