2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide

C16H19N3O2 — CID 131934351

IUPAC2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H19N3O2/c1-19-14(7-10-17-19)15(20)18-16(8-11-21-12-9-16)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyKRBYLQFGIMMTPK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide

2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide (PubChem CID 131934351) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide
PubChem CID131934351
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H19N3O2/c1-19-14(7-10-17-19)15(20)18-16(8-11-21-12-9-16)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyKRBYLQFGIMMTPK-UHFFFAOYSA-N
XLogP1.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide (CID 131934351) is 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is KRBYLQFGIMMTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-14(7-10-17-19)15(20)18-16(8-11-21-12-9-16)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide?
2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenyloxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 131934351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).