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

C23H30N6O2 — CID 24791244

IUPACN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1
InChIInChI=1S/C23H30N6O2/c1-2-28-18-19(16-25-28)17-27-13-9-20(10-14-27)29-22(8-12-24-29)26-23(30)11-15-31-21-6-4-3-5-7-21/h3-8,12,16,18,20H,2,9-11,13-15,17H2,1H3,(H,26,30)
InChIKeyZYMRASLJMQFPCN-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.34
Rot. Bonds9

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

N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24791244) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24791244
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1
InChIInChI=1S/C23H30N6O2/c1-2-28-18-19(16-25-28)17-27-13-9-20(10-14-27)29-22(8-12-24-29)26-23(30)11-15-31-21-6-4-3-5-7-21/h3-8,12,16,18,20H,2,9-11,13-15,17H2,1H3,(H,26,30)
InChIKeyZYMRASLJMQFPCN-UHFFFAOYSA-N
XLogP3.34
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.34
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-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24791244) is N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is CCn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is ZYMRASLJMQFPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-2-28-18-19(16-25-28)17-27-13-9-20(10-14-27)29-22(8-12-24-29)26-23(30)11-15-31-21-6-4-3-5-7-21/h3-8,12,16,18,20H,2,9-11,13-15,17H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 422.53 g/mol, XLogP of 3.34, 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-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24791244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).