N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C22H28N6O2 — CID 24793126

IUPACN-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2C)CC1
InChIInChI=1S/C22H28N6O2/c1-16-17(14-24-26(16)2)15-27-12-9-18(10-13-27)28-21(8-11-23-28)25-22(29)19-6-4-5-7-20(19)30-3/h4-8,11,14,18H,9-10,12-13,15H2,1-3H3,(H,25,29)
InChIKeyRCBKNWUXUGQPHG-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24793126) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24793126
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2C)CC1
InChIInChI=1S/C22H28N6O2/c1-16-17(14-24-26(16)2)15-27-12-9-18(10-13-27)28-21(8-11-23-28)25-22(29)19-6-4-5-7-20(19)30-3/h4-8,11,14,18H,9-10,12-13,15H2,1-3H3,(H,25,29)
InChIKeyRCBKNWUXUGQPHG-UHFFFAOYSA-N
XLogP3.02
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24793126) is N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C)c2C)CC1.
What is the InChIKey of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is RCBKNWUXUGQPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16-17(14-24-26(16)2)15-27-12-9-18(10-13-27)28-21(8-11-23-28)25-22(29)19-6-4-5-7-20(19)30-3/h4-8,11,14,18H,9-10,12-13,15H2,1-3H3,(H,25,29).
What are the key properties of N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 408.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24793126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).