1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C20H22ClFN4OS — CID 146053353

IUPAC1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccs1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C20H21FN4OS.ClH/c21-15-3-1-4-16(11-15)25-19(14-6-8-22-9-7-14)18(13-24-25)20(26)23-12-17-5-2-10-27-17;/h1-5,10-11,13-14,22H,6-9,12H2,(H,23,26);1H
InChIKeyGGJDACPKGFOVOQ-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 146053353) has the molecular formula C20H22ClFN4OS and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID146053353
Molecular FormulaC20H22ClFN4OS
Molecular Weight420.94 g/mol
Exact Mass420.12
IUPAC Name1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccs1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1
InChIInChI=1S/C20H21FN4OS.ClH/c21-15-3-1-4-16(11-15)25-19(14-6-8-22-9-7-14)18(13-24-25)20(26)23-12-17-5-2-10-27-17;/h1-5,10-11,13-14,22H,6-9,12H2,(H,23,26);1H
InChIKeyGGJDACPKGFOVOQ-UHFFFAOYSA-N
XLogP3.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 146053353) is 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCc1cccs1)c1cnn(-c2cccc(F)c2)c1C1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is GGJDACPKGFOVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS.ClH/c21-15-3-1-4-16(11-15)25-19(14-6-8-22-9-7-14)18(13-24-25)20(26)23-12-17-5-2-10-27-17;/h1-5,10-11,13-14,22H,6-9,12H2,(H,23,26);1H.
What are the key properties of 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-piperidin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).