1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride

C14H20ClN5OS — CID 129001736

IUPAC1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nccs1)c1ccn(C2CCCNC2)n1
InChIInChI=1S/C14H19N5OS.ClH/c20-14(17-6-3-13-16-7-9-21-13)12-4-8-19(18-12)11-2-1-5-15-10-11;/h4,7-9,11,15H,1-3,5-6,10H2,(H,17,20);1H
InChIKeyQOWYYEWNLBLMQX-UHFFFAOYSA-N
MW341.87 g/mol
LogP1.66
Rot. Bonds5

About 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride

1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 129001736) has the molecular formula C14H20ClN5OS and a molecular weight of 341.87 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID129001736
Molecular FormulaC14H20ClN5OS
Molecular Weight341.87 g/mol
Exact Mass341.11
IUPAC Name1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1nccs1)c1ccn(C2CCCNC2)n1
InChIInChI=1S/C14H19N5OS.ClH/c20-14(17-6-3-13-16-7-9-21-13)12-4-8-19(18-12)11-2-1-5-15-10-11;/h4,7-9,11,15H,1-3,5-6,10H2,(H,17,20);1H
InChIKeyQOWYYEWNLBLMQX-UHFFFAOYSA-N
XLogP1.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.87
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 128995991
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 128997121
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129330943
N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129476176
N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129476053
N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129339806
1-[(3R)-piperidin-3-yl]-N-(2-thiophen-3-ylethyl)-1,2,4-triazole-3-carboxamide
CID 129489835
1-[(3S)-piperidin-3-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 129466028
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 49411682
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride (CID 129001736) is 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NCCc1nccs1)c1ccn(C2CCCNC2)n1.
What is the InChIKey of 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is QOWYYEWNLBLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS.ClH/c20-14(17-6-3-13-16-7-9-21-13)12-4-8-19(18-12)11-2-1-5-15-10-11;/h4,7-9,11,15H,1-3,5-6,10H2,(H,17,20);1H.
What are the key properties of 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride?
1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 341.87 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 129001736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).