N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C20H24N6O — CID 126428113

IUPACN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nccc1[C@H]1CCCNC1)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H24N6O/c27-19(14-26-18(8-10-24-26)16-7-4-9-21-11-16)22-12-17-13-23-25-20(17)15-5-2-1-3-6-15/h1-3,5-6,8,10,13,16,21H,4,7,9,11-12,14H2,(H,22,27)(H,23,25)/t16-/m0/s1
InChIKeyJOQXSQCZFNYMPW-INIZCTEOSA-N
MW364.45 g/mol
LogP2.06
Rot. Bonds6

About N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126428113) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126428113
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nccc1[C@H]1CCCNC1)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H24N6O/c27-19(14-26-18(8-10-24-26)16-7-4-9-21-11-16)22-12-17-13-23-25-20(17)15-5-2-1-3-6-15/h1-3,5-6,8,10,13,16,21H,4,7,9,11-12,14H2,(H,22,27)(H,23,25)/t16-/m0/s1
InChIKeyJOQXSQCZFNYMPW-INIZCTEOSA-N
XLogP2.06
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126437647
2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 126437725
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
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126428113) is N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1nccc1[C@H]1CCCNC1)NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is JOQXSQCZFNYMPW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N6O/c27-19(14-26-18(8-10-24-26)16-7-4-9-21-11-16)22-12-17-13-23-25-20(17)15-5-2-1-3-6-15/h1-3,5-6,8,10,13,16,21H,4,7,9,11-12,14H2,(H,22,27)(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126428113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).