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

C24H32N6O2 — CID 24791744

IUPACN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C24H32N6O2/c1-3-29-18-20(19(2)27-29)17-28-14-10-21(11-15-28)30-23(9-13-25-30)26-24(31)12-16-32-22-7-5-4-6-8-22/h4-9,13,18,21H,3,10-12,14-17H2,1-2H3,(H,26,31)
InChIKeyZXUOSMSLIMWWBZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.65
Rot. Bonds9

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

N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24791744) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24791744
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c(C)n1
InChIInChI=1S/C24H32N6O2/c1-3-29-18-20(19(2)27-29)17-28-14-10-21(11-15-28)30-23(9-13-25-30)26-24(31)12-16-32-22-7-5-4-6-8-22/h4-9,13,18,21H,3,10-12,14-17H2,1-2H3,(H,26,31)
InChIKeyZXUOSMSLIMWWBZ-UHFFFAOYSA-N
XLogP3.65
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.65
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-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24791744) is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is CCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)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]-3-phenoxypropanamide?
The InChIKey is ZXUOSMSLIMWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-3-29-18-20(19(2)27-29)17-28-14-10-21(11-15-28)30-23(9-13-25-30)26-24(31)12-16-32-22-7-5-4-6-8-22/h4-9,13,18,21H,3,10-12,14-17H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 436.56 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-phenoxypropanamide is sourced from PubChem (CID 24791744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).