N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide

C14H23N3O2 — CID 50970124

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)C1CCOC1
InChIInChI=1S/C14H23N3O2/c1-4-12(5-2)17-13(8-10(3)16-17)15-14(18)11-6-7-19-9-11/h8,11-12H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyBQCKODPYJRMZCI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.53
Rot. Bonds5

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 50970124) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID50970124
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)C1CCOC1
InChIInChI=1S/C14H23N3O2/c1-4-12(5-2)17-13(8-10(3)16-17)15-14(18)11-6-7-19-9-11/h8,11-12H,4-7,9H2,1-3H3,(H,15,18)
InChIKeyBQCKODPYJRMZCI-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 46988837
N-(1-isobutyl-3-methyl-1H-pyrazol-5-yl)-N'-(tetrahydro-2H-pyran-4-yl)urea
CID 72909167
N-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94144978
N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-N'-(tetrahydrofuran-3-yl)urea
CID 118778096
(3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 136586422
3-acetamido-N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]propanamide
CID 164634187
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxane-4-carboxamide
CID 137930667
3-cyclopropyl-N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)propanamide
CID 29180484
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 93242340
N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide
CID 18419639
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
N-(2,5-dimethylpyrazol-3-yl)-3-octoxypropanamide
CID 57792179

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide (CID 50970124) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide is CCC(CC)n1nc(C)cc1NC(=O)C1CCOC1.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is BQCKODPYJRMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-12(5-2)17-13(8-10(3)16-17)15-14(18)11-6-7-19-9-11/h8,11-12H,4-7,9H2,1-3H3,(H,15,18).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 50970124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).