[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C14H23N3O2 — CID 109477654

IUPAC[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CC[C@@H](O)C2)cnn1CC(C)C
InChIInChI=1S/C14H23N3O2/c1-4-13-12(7-15-17(13)8-10(2)3)14(19)16-6-5-11(18)9-16/h7,10-11,18H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyWMAQXCPTCUBQJE-LLVKDONJSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds4

About [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 109477654) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID109477654
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CC[C@@H](O)C2)cnn1CC(C)C
InChIInChI=1S/C14H23N3O2/c1-4-13-12(7-15-17(13)8-10(2)3)14(19)16-6-5-11(18)9-16/h7,10-11,18H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyWMAQXCPTCUBQJE-LLVKDONJSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 109477654) is [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCc1c(C(=O)N2CC[C@@H](O)C2)cnn1CC(C)C.
What is the InChIKey of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WMAQXCPTCUBQJE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-13-12(7-15-17(13)8-10(2)3)14(19)16-6-5-11(18)9-16/h7,10-11,18H,4-6,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 109477654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).