3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide

C14H13N3OS — CID 72901713

IUPAC3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2csc3ccccc23)cn1
InChIInChI=1S/C14H13N3OS/c15-14(18)5-6-17-8-10(7-16-17)12-9-19-13-4-2-1-3-11(12)13/h1-4,7-9H,5-6H2,(H2,15,18)
InChIKeyKTNVTPWOUNANES-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.64
Rot. Bonds4

About 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide

3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide (PubChem CID 72901713) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide
PubChem CID72901713
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(-c2csc3ccccc23)cn1
InChIInChI=1S/C14H13N3OS/c15-14(18)5-6-17-8-10(7-16-17)12-9-19-13-4-2-1-3-11(12)13/h1-4,7-9H,5-6H2,(H2,15,18)
InChIKeyKTNVTPWOUNANES-UHFFFAOYSA-N
XLogP2.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide (CID 72901713) is 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide is NC(=O)CCn1cc(-c2csc3ccccc23)cn1.
What is the InChIKey of 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide?
The InChIKey is KTNVTPWOUNANES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-14(18)5-6-17-8-10(7-16-17)12-9-19-13-4-2-1-3-11(12)13/h1-4,7-9H,5-6H2,(H2,15,18).
What are the key properties of 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide?
3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide has a molecular weight of 271.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzothiophen-3-yl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 72901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).