(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride

C14H21ClN4OS — CID 119402426

IUPAC(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCNCC3)cc12.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-9(2)12-10-8-11(20-14(10)17(3)16-12)13(19)18-6-4-15-5-7-18;/h8-9,15H,4-7H2,1-3H3;1H
InChIKeyPGKOAAQHRSNCII-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.23
Rot. Bonds2

About (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride

(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119402426) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119402426
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC Name(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCC(C)c1nn(C)c2sc(C(=O)N3CCNCC3)cc12.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-9(2)12-10-8-11(20-14(10)17(3)16-12)13(19)18-6-4-15-5-7-18;/h8-9,15H,4-7H2,1-3H3;1H
InChIKeyPGKOAAQHRSNCII-UHFFFAOYSA-N
XLogP2.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride (CID 119402426) is (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride is CC(C)c1nn(C)c2sc(C(=O)N3CCNCC3)cc12.Cl.
What is the InChIKey of (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is PGKOAAQHRSNCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.ClH/c1-9(2)12-10-8-11(20-14(10)17(3)16-12)13(19)18-6-4-15-5-7-18;/h8-9,15H,4-7H2,1-3H3;1H.
What are the key properties of (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
(1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propan-2-ylthieno[3,2-d]pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119402426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).