methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate

C12H17N3O4 — CID 110280743

IUPACmethyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C12H17N3O4/c1-7-9(10(12(17)18-3)14-15(7)2)13-11(16)8-5-4-6-19-8/h8H,4-6H2,1-3H3,(H,13,16)
InChIKeySVOXKTXRQDHTKJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.63
Rot. Bonds3

About methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate

methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate (PubChem CID 110280743) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
PubChem CID110280743
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C12H17N3O4/c1-7-9(10(12(17)18-3)14-15(7)2)13-11(16)8-5-4-6-19-8/h8H,4-6H2,1-3H3,(H,13,16)
InChIKeySVOXKTXRQDHTKJ-UHFFFAOYSA-N
XLogP0.63
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 110280729
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2R)-N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)oxolane-2-carboxamide
CID 97001756
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 121137056
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate (CID 110280743) is methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)C1CCCO1.
What is the InChIKey of methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate?
The InChIKey is SVOXKTXRQDHTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-9(10(12(17)18-3)14-15(7)2)13-11(16)8-5-4-6-19-8/h8H,4-6H2,1-3H3,(H,13,16).
What are the key properties of methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate?
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate is sourced from PubChem (CID 110280743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).