N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C11H15ClN4OS — CID 154913802

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1nc2c(c1NC(=O)C1C=CCN1)CSC2
InChIInChI=1S/C11H14N4OS.ClH/c1-15-10(7-5-17-6-9(7)14-15)13-11(16)8-3-2-4-12-8;/h2-3,8,12H,4-6H2,1H3,(H,13,16);1H
InChIKeyBZMAGQHOFPPKGO-UHFFFAOYSA-N
MW286.79 g/mol
LogP1.06
Rot. Bonds2

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154913802) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154913802
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.Cn1nc2c(c1NC(=O)C1C=CCN1)CSC2
InChIInChI=1S/C11H14N4OS.ClH/c1-15-10(7-5-17-6-9(7)14-15)13-11(16)8-3-2-4-12-8;/h2-3,8,12H,4-6H2,1H3,(H,13,16);1H
InChIKeyBZMAGQHOFPPKGO-UHFFFAOYSA-N
XLogP1.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154913802) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cl.Cn1nc2c(c1NC(=O)C1C=CCN1)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is BZMAGQHOFPPKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS.ClH/c1-15-10(7-5-17-6-9(7)14-15)13-11(16)8-3-2-4-12-8;/h2-3,8,12H,4-6H2,1H3,(H,13,16);1H.
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 286.79 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154913802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).