2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C23H30N6O — CID 24791977

IUPAC2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C(C)C)c2)CC1
InChIInChI=1S/C23H30N6O/c1-17(2)28-16-19(14-25-28)15-27-12-9-20(10-13-27)29-22(8-11-24-29)26-23(30)21-7-5-4-6-18(21)3/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,30)
InChIKeyFMBNDKKHBRLVIG-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.06
Rot. Bonds6

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

2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791977) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791977
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C(C)C)c2)CC1
InChIInChI=1S/C23H30N6O/c1-17(2)28-16-19(14-25-28)15-27-12-9-20(10-13-27)29-22(8-11-24-29)26-23(30)21-7-5-4-6-18(21)3/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,30)
InChIKeyFMBNDKKHBRLVIG-UHFFFAOYSA-N
XLogP4.06
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791977) is 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cnn(C(C)C)c2)CC1.
What is the InChIKey of 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is FMBNDKKHBRLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-17(2)28-16-19(14-25-28)15-27-12-9-20(10-13-27)29-22(8-11-24-29)26-23(30)21-7-5-4-6-18(21)3/h4-8,11,14,16-17,20H,9-10,12-13,15H2,1-3H3,(H,26,30).
What are the key properties of 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).