4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C21H26N6O2 — CID 24817124

IUPAC4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cnn(C)c3)CC2)cc1
InChIInChI=1S/C21H26N6O2/c1-25-14-16(13-23-25)15-26-11-8-18(9-12-26)27-20(7-10-22-27)24-21(28)17-3-5-19(29-2)6-4-17/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,28)
InChIKeyLPLZLORNMNCQOQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.71
Rot. Bonds6

About 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24817124) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24817124
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cnn(C)c3)CC2)cc1
InChIInChI=1S/C21H26N6O2/c1-25-14-16(13-23-25)15-26-11-8-18(9-12-26)27-20(7-10-22-27)24-21(28)17-3-5-19(29-2)6-4-17/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,28)
InChIKeyLPLZLORNMNCQOQ-UHFFFAOYSA-N
XLogP2.71
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24817124) is 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cnn(C)c3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is LPLZLORNMNCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25-14-16(13-23-25)15-26-11-8-18(9-12-26)27-20(7-10-22-27)24-21(28)17-3-5-19(29-2)6-4-17/h3-7,10,13-14,18H,8-9,11-12,15H2,1-2H3,(H,24,28).
What are the key properties of 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24817124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).