N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C12H19N3O2 — CID 56751023

IUPACN-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCCCn1cc(CNC(=O)C2CCOC2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-4-15-8-10(7-14-15)6-13-12(16)11-3-5-17-9-11/h7-8,11H,2-6,9H2,1H3,(H,13,16)
InChIKeyRJJIXEPGZGQBPO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.95
Rot. Bonds5

About N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide

N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 56751023) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID56751023
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCCCn1cc(CNC(=O)C2CCOC2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-4-15-8-10(7-14-15)6-13-12(16)11-3-5-17-9-11/h7-8,11H,2-6,9H2,1H3,(H,13,16)
InChIKeyRJJIXEPGZGQBPO-UHFFFAOYSA-N
XLogP0.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 56751023) is N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide is CCCn1cc(CNC(=O)C2CCOC2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is RJJIXEPGZGQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-4-15-8-10(7-14-15)6-13-12(16)11-3-5-17-9-11/h7-8,11H,2-6,9H2,1H3,(H,13,16).
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 56751023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).