N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride

C21H25ClN4O2S — CID 11834402

IUPACN-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H24N4O2S.ClH/c26-21(22-9-5-10-24-11-13-27-14-12-24)18-16-25(17-6-2-1-3-7-17)23-20(18)19-8-4-15-28-19;/h1-4,6-8,15-16H,5,9-14H2,(H,22,26);1H
InChIKeyOFTPIYGQJFROEU-UHFFFAOYSA-N
MW432.98 g/mol
LogP3.47
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 11834402) has the molecular formula C21H25ClN4O2S and a molecular weight of 432.98 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID11834402
Molecular FormulaC21H25ClN4O2S
Molecular Weight432.98 g/mol
Exact Mass432.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H24N4O2S.ClH/c26-21(22-9-5-10-24-11-13-27-14-12-24)18-16-25(17-6-2-1-3-7-17)23-20(18)19-8-4-15-28-19;/h1-4,6-8,15-16H,5,9-14H2,(H,22,26);1H
InChIKeyOFTPIYGQJFROEU-UHFFFAOYSA-N
XLogP3.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride (CID 11834402) is N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is OFTPIYGQJFROEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.ClH/c26-21(22-9-5-10-24-11-13-27-14-12-24)18-16-25(17-6-2-1-3-7-17)23-20(18)19-8-4-15-28-19;/h1-4,6-8,15-16H,5,9-14H2,(H,22,26);1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 432.98 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 11834402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).