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

C15H17N3O3 — CID 138013307

IUPAC2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1(CO)CCCO1
InChIInChI=1S/C15H17N3O3/c19-10-15(6-2-8-21-15)14(20)17-12-4-1-3-11(9-12)13-5-7-16-18-13/h1,3-5,7,9,19H,2,6,8,10H2,(H,16,18)(H,17,20)
InChIKeySQGLDFPNNPQLBT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.56
Rot. Bonds4

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

2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide (PubChem CID 138013307) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide
PubChem CID138013307
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1(CO)CCCO1
InChIInChI=1S/C15H17N3O3/c19-10-15(6-2-8-21-15)14(20)17-12-4-1-3-11(9-12)13-5-7-16-18-13/h1,3-5,7,9,19H,2,6,8,10H2,(H,16,18)(H,17,20)
InChIKeySQGLDFPNNPQLBT-UHFFFAOYSA-N
XLogP1.56
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide (CID 138013307) is 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)C1(CO)CCCO1.
What is the InChIKey of 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is SQGLDFPNNPQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-15(6-2-8-21-15)14(20)17-12-4-1-3-11(9-12)13-5-7-16-18-13/h1,3-5,7,9,19H,2,6,8,10H2,(H,16,18)(H,17,20).
What are the key properties of 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide?
2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 138013307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).