N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide

C21H26N6O — CID 126440496

IUPACN-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1cccc(-n2cccn2)c1)C(=O)Cn1nccc1[C@H]1CCCNC1
InChIInChI=1S/C21H26N6O/c1-25(15-17-5-2-7-19(13-17)26-12-4-10-23-26)21(28)16-27-20(8-11-24-27)18-6-3-9-22-14-18/h2,4-5,7-8,10-13,18,22H,3,6,9,14-16H2,1H3/t18-/m0/s1
InChIKeyATYJTJHGSQFGJO-SFHVURJKSA-N
MW378.48 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide

N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 126440496) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID126440496
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1cccc(-n2cccn2)c1)C(=O)Cn1nccc1[C@H]1CCCNC1
InChIInChI=1S/C21H26N6O/c1-25(15-17-5-2-7-19(13-17)26-12-4-10-23-26)21(28)16-27-20(8-11-24-27)18-6-3-9-22-14-18/h2,4-5,7-8,10-13,18,22H,3,6,9,14-16H2,1H3/t18-/m0/s1
InChIKeyATYJTJHGSQFGJO-SFHVURJKSA-N
XLogP2.19
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119069345
N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide;hydrochloride
CID 154903847
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445012
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445011
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452950
N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119058801
N-butyl-2-(5-piperidin-3-ylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 154905007
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]oxolane-3-carboxamide
CID 70740916
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-propylacetamide
CID 126425206
1-(azepan-1-yl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
CID 126426759

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide (CID 126440496) is N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide is CN(Cc1cccc(-n2cccn2)c1)C(=O)Cn1nccc1[C@H]1CCCNC1.
What is the InChIKey of N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is ATYJTJHGSQFGJO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25(15-17-5-2-7-19(13-17)26-12-4-10-23-26)21(28)16-27-20(8-11-24-27)18-6-3-9-22-14-18/h2,4-5,7-8,10-13,18,22H,3,6,9,14-16H2,1H3/t18-/m0/s1.
What are the key properties of N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide?
N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-[(3-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 126440496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).