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

C24H32N6O2 — CID 45175176

IUPAC2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)n[nH]2)CC1)c1ccccc1
InChIInChI=1S/C24H32N6O2/c1-17(2)21-15-19(27-28-21)16-29-13-10-20(11-14-29)30-22(9-12-25-30)26-24(31)23(32-3)18-7-5-4-6-8-18/h4-9,12,15,17,20,23H,10-11,13-14,16H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyWLKDMQMPUWEEQE-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.89
Rot. Bonds8

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

2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 45175176) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID45175176
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)n[nH]2)CC1)c1ccccc1
InChIInChI=1S/C24H32N6O2/c1-17(2)21-15-19(27-28-21)16-29-13-10-20(11-14-29)30-22(9-12-25-30)26-24(31)23(32-3)18-7-5-4-6-8-18/h4-9,12,15,17,20,23H,10-11,13-14,16H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyWLKDMQMPUWEEQE-UHFFFAOYSA-N
XLogP3.89
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (CID 45175176) is 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)n[nH]2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is WLKDMQMPUWEEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17(2)21-15-19(27-28-21)16-29-13-10-20(11-14-29)30-22(9-12-25-30)26-24(31)23(32-3)18-7-5-4-6-8-18/h4-9,12,15,17,20,23H,10-11,13-14,16H2,1-3H3,(H,26,31)(H,27,28).
What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 45175176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).