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

C14H16N4OS — CID 58657079

IUPAC5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccn(CCN3CCOCC3)n2)s1
InChIInChI=1S/C14H16N4OS/c15-11-12-1-2-14(20-12)13-3-4-18(16-13)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2
InChIKeyIMFXPBXLIOHAMB-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.82
Rot. Bonds4

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

5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile (PubChem CID 58657079) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile
PubChem CID58657079
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccn(CCN3CCOCC3)n2)s1
InChIInChI=1S/C14H16N4OS/c15-11-12-1-2-14(20-12)13-3-4-18(16-13)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2
InChIKeyIMFXPBXLIOHAMB-UHFFFAOYSA-N
XLogP1.82
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile (CID 58657079) is 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2ccn(CCN3CCOCC3)n2)s1.
What is the InChIKey of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
The InChIKey is IMFXPBXLIOHAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-11-12-1-2-14(20-12)13-3-4-18(16-13)6-5-17-7-9-19-10-8-17/h1-4H,5-10H2.
What are the key properties of 5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile?
5-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]thiophene-2-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 58657079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).