N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide

C18H23N3O3 — CID 122143752

IUPACN-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide
SMILESCn1nc(C2CCCOC2)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-21-17(12-16(20-21)14-6-5-10-23-13-14)19-18(22)9-11-24-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11,13H2,1H3,(H,19,22)
InChIKeyQNIZGLVKMHCQTN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.72
Rot. Bonds6

About N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide

N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide (PubChem CID 122143752) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide
PubChem CID122143752
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide
SMILESCn1nc(C2CCCOC2)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-21-17(12-16(20-21)14-6-5-10-23-13-14)19-18(22)9-11-24-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11,13H2,1H3,(H,19,22)
InChIKeyQNIZGLVKMHCQTN-UHFFFAOYSA-N
XLogP2.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide?
The IUPAC name of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide (CID 122143752) is N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide is Cn1nc(C2CCCOC2)cc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide?
The InChIKey is QNIZGLVKMHCQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21-17(12-16(20-21)14-6-5-10-23-13-14)19-18(22)9-11-24-15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11,13H2,1H3,(H,19,22).
What are the key properties of N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide?
N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide is sourced from PubChem (CID 122143752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).