[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

C12H14N4O2 — CID 126947144

IUPAC[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cnn(C2CCN(C(=O)c3ccno3)C2)c1
InChIInChI=1S/C12H14N4O2/c1-9-6-13-16(7-9)10-3-5-15(8-10)12(17)11-2-4-14-18-11/h2,4,6-7,10H,3,5,8H2,1H3
InChIKeyCVRICNPDEFKHBM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds2

About [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 126947144) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID126947144
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCc1cnn(C2CCN(C(=O)c3ccno3)C2)c1
InChIInChI=1S/C12H14N4O2/c1-9-6-13-16(7-9)10-3-5-15(8-10)12(17)11-2-4-14-18-11/h2,4,6-7,10H,3,5,8H2,1H3
InChIKeyCVRICNPDEFKHBM-UHFFFAOYSA-N
XLogP1.27
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235
N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115825892
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 136543837
methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
CID 115825393
1,3-benzothiazol-6-yl-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947149
[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 166253150
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 126947144) is [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is Cc1cnn(C2CCN(C(=O)c3ccno3)C2)c1.
What is the InChIKey of [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is CVRICNPDEFKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-6-13-16(7-9)10-3-5-15(8-10)12(17)11-2-4-14-18-11/h2,4,6-7,10H,3,5,8H2,1H3.
What are the key properties of [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 246.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 126947144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).