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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Related Compounds

N-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]-2-methylpyrazole-3-carboxamide
CID 71680187
4-chloro-2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 6464856
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
4-chloro-1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 6468313
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide
CID 45153612
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
1-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 4137170
(4S)-N-ethyl-4-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 72851976
6-Methyl-4-oxo-N~2~-(tetrahydro-2-furanylmethyl)-4,5-dihydropyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91919204

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).