N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide

C20H27N3O2 — CID 47066993

IUPACN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCO1
InChIInChI=1S/C20H27N3O2/c1-23(20(24)19-12-8-14-25-19)13-7-3-6-11-17-15-18(22-21-17)16-9-4-2-5-10-16/h2,4-5,9-10,15,19H,3,6-8,11-14H2,1H3,(H,21,22)
InChIKeyYFSJUDZCVQWMCN-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.43
Rot. Bonds8

About N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide (PubChem CID 47066993) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide
PubChem CID47066993
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCO1
InChIInChI=1S/C20H27N3O2/c1-23(20(24)19-12-8-14-25-19)13-7-3-6-11-17-15-18(22-21-17)16-9-4-2-5-10-16/h2,4-5,9-10,15,19H,3,6-8,11-14H2,1H3,(H,21,22)
InChIKeyYFSJUDZCVQWMCN-UHFFFAOYSA-N
XLogP3.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide (CID 47066993) is N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCO1.
What is the InChIKey of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide?
The InChIKey is YFSJUDZCVQWMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23(20(24)19-12-8-14-25-19)13-7-3-6-11-17-15-18(22-21-17)16-9-4-2-5-10-16/h2,4-5,9-10,15,19H,3,6-8,11-14H2,1H3,(H,21,22).
What are the key properties of N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide?
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]oxolane-2-carboxamide is sourced from PubChem (CID 47066993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).