(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide

C16H19N3O2 — CID 56755678

IUPAC(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C16H19N3O2/c1-18(16(20)15-8-4-11-21-15)12-13-6-2-3-7-14(13)19-10-5-9-17-19/h2-3,5-7,9-10,15H,4,8,11-12H2,1H3/t15-/m1/s1
InChIKeyKVWOTZSKQGKPTP-OAHLLOKOSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds4

About (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide

(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 56755678) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
PubChem CID56755678
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
SMILESCN(Cc1ccccc1-n1cccn1)C(=O)[C@H]1CCCO1
InChIInChI=1S/C16H19N3O2/c1-18(16(20)15-8-4-11-21-15)12-13-6-2-3-7-14(13)19-10-5-9-17-19/h2-3,5-7,9-10,15H,4,8,11-12H2,1H3/t15-/m1/s1
InChIKeyKVWOTZSKQGKPTP-OAHLLOKOSA-N
XLogP2.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide (CID 56755678) is (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide is CN(Cc1ccccc1-n1cccn1)C(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is KVWOTZSKQGKPTP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(16(20)15-8-4-11-21-15)12-13-6-2-3-7-14(13)19-10-5-9-17-19/h2-3,5-7,9-10,15H,4,8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide?
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 56755678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).