3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide

C14H23N3O2 — CID 90325631

IUPAC3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide
SMILESCCCCc1cc(C(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C14H23N3O2/c1-3-4-5-12-8-13(17(2)16-12)14(18)15-9-11-6-7-19-10-11/h8,11H,3-7,9-10H2,1-2H3,(H,15,18)
InChIKeyPSGUCTRHMGVTDG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.53
Rot. Bonds6

About 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide

3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 90325631) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID90325631
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide
SMILESCCCCc1cc(C(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C14H23N3O2/c1-3-4-5-12-8-13(17(2)16-12)14(18)15-9-11-6-7-19-10-11/h8,11H,3-7,9-10H2,1-2H3,(H,15,18)
InChIKeyPSGUCTRHMGVTDG-UHFFFAOYSA-N
XLogP1.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide (CID 90325631) is 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide is CCCCc1cc(C(=O)NCC2CCOC2)n(C)n1.
What is the InChIKey of 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is PSGUCTRHMGVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-5-12-8-13(17(2)16-12)14(18)15-9-11-6-7-19-10-11/h8,11H,3-7,9-10H2,1-2H3,(H,15,18).
What are the key properties of 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide?
3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-N-(oxolan-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90325631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).