5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide

C16H21N3O3S — CID 97246004

IUPAC5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccsc2)cnn1CCO[C@H]1CCCCO1
InChIInChI=1S/C16H21N3O3S/c1-12-14(16(20)18-13-5-9-23-11-13)10-17-19(12)6-8-22-15-4-2-3-7-21-15/h5,9-11,15H,2-4,6-8H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyMZJJPRDOEBNKFB-HNNXBMFYSA-N
MW335.43 g/mol
LogP3.05
Rot. Bonds6

About 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide

5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide (PubChem CID 97246004) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide
PubChem CID97246004
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccsc2)cnn1CCO[C@H]1CCCCO1
InChIInChI=1S/C16H21N3O3S/c1-12-14(16(20)18-13-5-9-23-11-13)10-17-19(12)6-8-22-15-4-2-3-7-21-15/h5,9-11,15H,2-4,6-8H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyMZJJPRDOEBNKFB-HNNXBMFYSA-N
XLogP3.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-fluoro-2-pyridinyl)-3-[5-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazol-4-yl]-3-oxopropanenitrile
CID 99630284
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
2-[2-(oxan-2-yloxy)ethyl]phthalazin-1-one
CID 19979310
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045
methyl 1-[2-(oxan-2-yloxy)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643841
N-[(1S,5S,6S,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91793747
1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
CID 124862282
1,5-dimethyl-4-[(2S)-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
CID 100668330
4-chloro-6-methylsulfanyl-1-[2-(oxan-2-yloxy)ethyl]pyrazolo[5,4-d]pyrimidine
CID 72720923
ethyl 3-(4-cyanophenyl)-1-[2-(oxan-2-yloxy)ethyl]pyrazole-5-carboxylate
CID 58610218

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide (CID 97246004) is 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccsc2)cnn1CCO[C@H]1CCCCO1.
What is the InChIKey of 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide?
The InChIKey is MZJJPRDOEBNKFB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12-14(16(20)18-13-5-9-23-11-13)10-17-19(12)6-8-22-15-4-2-3-7-21-15/h5,9-11,15H,2-4,6-8H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide?
5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]-N-thiophen-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 97246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).