N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide

C14H15N3O2 — CID 42944592

IUPACN-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1CCCO1
InChIInChI=1S/C14H15N3O2/c18-14(12-7-4-10-19-12)15-13-8-9-17(16-13)11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,15,16,18)
InChIKeyKLZMAXBRBYOGJB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.99
Rot. Bonds3

About N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide

N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 42944592) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide
PubChem CID42944592
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1CCCO1
InChIInChI=1S/C14H15N3O2/c18-14(12-7-4-10-19-12)15-13-8-9-17(16-13)11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,15,16,18)
InChIKeyKLZMAXBRBYOGJB-UHFFFAOYSA-N
XLogP1.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide (CID 42944592) is N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)C1CCCO1.
What is the InChIKey of N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is KLZMAXBRBYOGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(12-7-4-10-19-12)15-13-8-9-17(16-13)11-5-2-1-3-6-11/h1-3,5-6,8-9,12H,4,7,10H2,(H,15,16,18).
What are the key properties of N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide?
N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 42944592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).