(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide

C12H19N3O2 — CID 39854323

IUPAC(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)[C@H]2CCCO2)c1C
InChIInChI=1S/C12H19N3O2/c1-4-15-9(3)11(8(2)14-15)13-12(16)10-6-5-7-17-10/h10H,4-7H2,1-3H3,(H,13,16)/t10-/m1/s1
InChIKeyQYQRGVNUYCMVSI-SNVBAGLBSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds3

About (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide

(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide (PubChem CID 39854323) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
PubChem CID39854323
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCCn1nc(C)c(NC(=O)[C@H]2CCCO2)c1C
InChIInChI=1S/C12H19N3O2/c1-4-15-9(3)11(8(2)14-15)13-12(16)10-6-5-7-17-10/h10H,4-7H2,1-3H3,(H,13,16)/t10-/m1/s1
InChIKeyQYQRGVNUYCMVSI-SNVBAGLBSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
CID 95805150
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
CID 71298534
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 35284693
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 121137056
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide (CID 39854323) is (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide is CCn1nc(C)c(NC(=O)[C@H]2CCCO2)c1C.
What is the InChIKey of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
The InChIKey is QYQRGVNUYCMVSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-15-9(3)11(8(2)14-15)13-12(16)10-6-5-7-17-10/h10H,4-7H2,1-3H3,(H,13,16)/t10-/m1/s1.
What are the key properties of (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide?
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 39854323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).