N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

C23H30N6O — CID 24791098

IUPACN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c(C)n1
InChIInChI=1S/C23H30N6O/c1-4-28-16-19(18(3)26-28)15-27-13-10-20(11-14-27)29-22(9-12-24-29)25-23(30)21-8-6-5-7-17(21)2/h5-9,12,16,20H,4,10-11,13-15H2,1-3H3,(H,25,30)
InChIKeyUGPZXDSNQPTUMT-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.81
Rot. Bonds6

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

N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 24791098) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID24791098
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c(C)n1
InChIInChI=1S/C23H30N6O/c1-4-28-16-19(18(3)26-28)15-27-13-10-20(11-14-27)29-22(9-12-24-29)25-23(30)21-8-6-5-7-17(21)2/h5-9,12,16,20H,4,10-11,13-15H2,1-3H3,(H,25,30)
InChIKeyUGPZXDSNQPTUMT-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 24791098) is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is CCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)c(C)n1.
What is the InChIKey of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is UGPZXDSNQPTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-4-28-16-19(18(3)26-28)15-27-13-10-20(11-14-27)29-22(9-12-24-29)25-23(30)21-8-6-5-7-17(21)2/h5-9,12,16,20H,4,10-11,13-15H2,1-3H3,(H,25,30).
What are the key properties of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 406.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 24791098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).