5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide

C16H19N3O2 — CID 5214846

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)n(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-15(16(20)17-11-14-8-5-9-21-14)19(18-12)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,17,20)
InChIKeyYCJWIGYRFMTNKJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds4

About 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide

5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide (PubChem CID 5214846) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide
PubChem CID5214846
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)n(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-15(16(20)17-11-14-8-5-9-21-14)19(18-12)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,17,20)
InChIKeyYCJWIGYRFMTNKJ-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide (CID 5214846) is 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2CCCO2)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide?
The InChIKey is YCJWIGYRFMTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-15(16(20)17-11-14-8-5-9-21-14)19(18-12)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,17,20).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide?
5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5214846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).