5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid

C14H17N3O3S — CID 58657297

IUPAC5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccn(CCN3CCOCC3)n2)s1
InChIInChI=1S/C14H17N3O3S/c18-14(19)13-2-1-12(21-13)11-3-4-17(15-11)6-5-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,18,19)
InChIKeyUVPLMERNOYRZFL-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.64
Rot. Bonds5

About 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid

5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid (PubChem CID 58657297) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
PubChem CID58657297
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccn(CCN3CCOCC3)n2)s1
InChIInChI=1S/C14H17N3O3S/c18-14(19)13-2-1-12(21-13)11-3-4-17(15-11)6-5-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,18,19)
InChIKeyUVPLMERNOYRZFL-UHFFFAOYSA-N
XLogP1.64
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile
CID 58657079
4-[2-[3-[3-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]pyrazol-1-yl]ethyl]morpholine
CID 29022638
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
1-(3-morpholin-4-ylpropyl)pyrazol-3-amine
CID 63310505
methyl 5-[1-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 174491176
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
CID 103261043
3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623576
N-hydroxy-5-[1-[(6S)-7,7,7-trifluoro-6-methylheptyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 142672472
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-1-[5-[3-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 171924705
1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 155687565
5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 53013333

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid (CID 58657297) is 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2ccn(CCN3CCOCC3)n2)s1.
What is the InChIKey of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid?
The InChIKey is UVPLMERNOYRZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-14(19)13-2-1-12(21-13)11-3-4-17(15-11)6-5-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,18,19).
What are the key properties of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid?
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 58657297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).