2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride

C20H25ClN6O — CID 154905162

IUPAC2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(Cn1nccc1C1CCCNC1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H24N6O.ClH/c27-20(15-26-19(8-11-24-26)17-3-1-9-21-14-17)22-13-16-4-6-18(7-5-16)25-12-2-10-23-25;/h2,4-8,10-12,17,21H,1,3,9,13-15H2,(H,22,27);1H
InChIKeyMNLYEIBHZPRCDC-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.27
Rot. Bonds6

About 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride

2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride (PubChem CID 154905162) has the molecular formula C20H25ClN6O and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
PubChem CID154905162
Molecular FormulaC20H25ClN6O
Molecular Weight400.91 g/mol
Exact Mass400.18
IUPAC Name2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(Cn1nccc1C1CCCNC1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H24N6O.ClH/c27-20(15-26-19(8-11-24-26)17-3-1-9-21-14-17)22-13-16-4-6-18(7-5-16)25-12-2-10-23-25;/h2,4-8,10-12,17,21H,1,3,9,13-15H2,(H,22,27);1H
InChIKeyMNLYEIBHZPRCDC-UHFFFAOYSA-N
XLogP2.27
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 126437725
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126430454
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428113
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
CID 126440496
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154903889

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride (CID 154905162) is 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride is Cl.O=C(Cn1nccc1C1CCCNC1)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is MNLYEIBHZPRCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.ClH/c27-20(15-26-19(8-11-24-26)17-3-1-9-21-14-17)22-13-16-4-6-18(7-5-16)25-12-2-10-23-25;/h2,4-8,10-12,17,21H,1,3,9,13-15H2,(H,22,27);1H.
What are the key properties of 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride?
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 400.91 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 154905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).