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

C18H23N3O2 — CID 47070432

IUPACN-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCO1
InChIInChI=1S/C18H23N3O2/c1-21(18(22)17-10-6-12-23-17)11-5-9-15-13-16(20-19-15)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,19,20)
InChIKeyUSKABCIMCDCZLR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.65
Rot. Bonds6

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

N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide (PubChem CID 47070432) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide
PubChem CID47070432
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCO1
InChIInChI=1S/C18H23N3O2/c1-21(18(22)17-10-6-12-23-17)11-5-9-15-13-16(20-19-15)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,19,20)
InChIKeyUSKABCIMCDCZLR-UHFFFAOYSA-N
XLogP2.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide (CID 47070432) is N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CCCO1.
What is the InChIKey of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide?
The InChIKey is USKABCIMCDCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(18(22)17-10-6-12-23-17)11-5-9-15-13-16(20-19-15)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H,19,20).
What are the key properties of N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide?
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 47070432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).