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

C13H21N3O2 — CID 90326006

IUPAC1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-3-4-11-7-12(16(2)15-11)13(17)14-8-10-5-6-18-9-10/h7,10H,3-6,8-9H2,1-2H3,(H,14,17)
InChIKeyWWXDUDHDBJDZRC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds5

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

1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide (PubChem CID 90326006) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide
PubChem CID90326006
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C13H21N3O2/c1-3-4-11-7-12(16(2)15-11)13(17)14-8-10-5-6-18-9-10/h7,10H,3-6,8-9H2,1-2H3,(H,14,17)
InChIKeyWWXDUDHDBJDZRC-UHFFFAOYSA-N
XLogP1.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide (CID 90326006) is 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)NCC2CCOC2)n(C)n1.
What is the InChIKey of 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide?
The InChIKey is WWXDUDHDBJDZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-11-7-12(16(2)15-11)13(17)14-8-10-5-6-18-9-10/h7,10H,3-6,8-9H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide?
1-methyl-N-(oxolan-3-ylmethyl)-3-propylpyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.14, 5 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-propylpyrazole-5-carboxamide is sourced from PubChem (CID 90326006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).