N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide

C17H22N4O2S — CID 72889378

IUPACN-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide
SMILESCOc1ccc(-c2c(C)nn(C)c2NC(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-12-15(13-4-6-14(23-3)7-5-13)16(20(2)19-12)18-17(22)21-8-10-24-11-9-21/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyGZNPPLKWPJNRPA-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.98
Rot. Bonds3

About N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide

N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide (PubChem CID 72889378) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide
PubChem CID72889378
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide
SMILESCOc1ccc(-c2c(C)nn(C)c2NC(=O)N2CCSCC2)cc1
InChIInChI=1S/C17H22N4O2S/c1-12-15(13-4-6-14(23-3)7-5-13)16(20(2)19-12)18-17(22)21-8-10-24-11-9-21/h4-7H,8-11H2,1-3H3,(H,18,22)
InChIKeyGZNPPLKWPJNRPA-UHFFFAOYSA-N
XLogP2.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-phenoxyacetamide
CID 134710429
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-2-(2-methylimidazol-1-yl)acetamide
CID 134704405
3-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]urea
CID 97279827
N-[4-methoxy-2-(trifluoromethyl)phenyl]thiomorpholine-4-carboxamide
CID 51082771
5-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 58962984
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
4-[(1,3-dimethyl-4-phenylpyrazol-5-yl)amino]-4-oxobutanoic acid
CID 134712423
N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
CID 95155246
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51044367

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide (CID 72889378) is N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide is COc1ccc(-c2c(C)nn(C)c2NC(=O)N2CCSCC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide?
The InChIKey is GZNPPLKWPJNRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-15(13-4-6-14(23-3)7-5-13)16(20(2)19-12)18-17(22)21-8-10-24-11-9-21/h4-7H,8-11H2,1-3H3,(H,18,22).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 72889378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).