3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide

C15H16N4OS — CID 75384490

IUPAC3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NCc2cc3ccccc3s2)n1
InChIInChI=1S/C15H16N4OS/c16-14(20)5-7-19-8-6-15(18-19)17-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,6,8-9H,5,7,10H2,(H2,16,20)(H,17,18)
InChIKeySRFCSJXIZFCAKJ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.59
Rot. Bonds6

About 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide

3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide (PubChem CID 75384490) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide
PubChem CID75384490
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NCc2cc3ccccc3s2)n1
InChIInChI=1S/C15H16N4OS/c16-14(20)5-7-19-8-6-15(18-19)17-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,6,8-9H,5,7,10H2,(H2,16,20)(H,17,18)
InChIKeySRFCSJXIZFCAKJ-UHFFFAOYSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide (CID 75384490) is 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(NCc2cc3ccccc3s2)n1.
What is the InChIKey of 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide?
The InChIKey is SRFCSJXIZFCAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-14(20)5-7-19-8-6-15(18-19)17-10-12-9-11-3-1-2-4-13(11)21-12/h1-4,6,8-9H,5,7,10H2,(H2,16,20)(H,17,18).
What are the key properties of 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide?
3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide has a molecular weight of 300.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide is sourced from PubChem (CID 75384490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).