1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C14H19ClN4OS — CID 128997121

IUPAC1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccsc1)c1ccn(C2CCCNC2)n1
InChIInChI=1S/C14H18N4OS.ClH/c19-14(16-8-11-4-7-20-10-11)13-3-6-18(17-13)12-2-1-5-15-9-12;/h3-4,6-7,10,12,15H,1-2,5,8-9H2,(H,16,19);1H
InChIKeyVGJRDRBZFXJGOA-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.22
Rot. Bonds4

About 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride

1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 128997121) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID128997121
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccsc1)c1ccn(C2CCCNC2)n1
InChIInChI=1S/C14H18N4OS.ClH/c19-14(16-8-11-4-7-20-10-11)13-3-6-18(17-13)12-2-1-5-15-9-12;/h3-4,6-7,10,12,15H,1-2,5,8-9H2,(H,16,19);1H
InChIKeyVGJRDRBZFXJGOA-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 128997121) is 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccsc1)c1ccn(C2CCCNC2)n1.
What is the InChIKey of 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is VGJRDRBZFXJGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c19-14(16-8-11-4-7-20-10-11)13-3-6-18(17-13)12-2-1-5-15-9-12;/h3-4,6-7,10,12,15H,1-2,5,8-9H2,(H,16,19);1H.
What are the key properties of 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 128997121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).