1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide

C15H25N3O2 — CID 90325766

IUPAC1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide
SMILESCCCCCc1cc(C(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C15H25N3O2/c1-3-4-5-6-13-9-14(18(2)17-13)15(19)16-10-12-7-8-20-11-12/h9,12H,3-8,10-11H2,1-2H3,(H,16,19)
InChIKeyDAOVVPKZWWGUKU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.92
Rot. Bonds7

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

1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide (PubChem CID 90325766) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide
PubChem CID90325766
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide
SMILESCCCCCc1cc(C(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C15H25N3O2/c1-3-4-5-6-13-9-14(18(2)17-13)15(19)16-10-12-7-8-20-11-12/h9,12H,3-8,10-11H2,1-2H3,(H,16,19)
InChIKeyDAOVVPKZWWGUKU-UHFFFAOYSA-N
XLogP1.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide (CID 90325766) is 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide is CCCCCc1cc(C(=O)NCC2CCOC2)n(C)n1.
What is the InChIKey of 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide?
The InChIKey is DAOVVPKZWWGUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-4-5-6-13-9-14(18(2)17-13)15(19)16-10-12-7-8-20-11-12/h9,12H,3-8,10-11H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide?
1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-3-ylmethyl)-3-pentylpyrazole-5-carboxamide is sourced from PubChem (CID 90325766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).