2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide

C11H17N3O2 — CID 4770715

IUPAC2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C)C1CCCO1
InChIInChI=1S/C11H17N3O2/c1-8(10-4-3-7-16-10)13-11(15)9-5-6-12-14(9)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyXAJHYNRNMAKHDP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds3

About 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide

2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 4770715) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID4770715
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccnn1C)C1CCCO1
InChIInChI=1S/C11H17N3O2/c1-8(10-4-3-7-16-10)13-11(15)9-5-6-12-14(9)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyXAJHYNRNMAKHDP-UHFFFAOYSA-N
XLogP0.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide (CID 4770715) is 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide is CC(NC(=O)c1ccnn1C)C1CCCO1.
What is the InChIKey of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is XAJHYNRNMAKHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(10-4-3-7-16-10)13-11(15)9-5-6-12-14(9)2/h5-6,8,10H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4770715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).