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

C14H23N3O2 — CID 70717897

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C14H23N3O2/c1-4-17-13(8-11(15-17)7-10(2)3)14(19)16-6-5-12(18)9-16/h8,10,12,18H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyPVJVNYYPSFUECC-GFCCVEGCSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds4

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

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 70717897) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID70717897
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C14H23N3O2/c1-4-17-13(8-11(15-17)7-10(2)3)14(19)16-6-5-12(18)9-16/h8,10,12,18H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyPVJVNYYPSFUECC-GFCCVEGCSA-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 [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 70717897) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is PVJVNYYPSFUECC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17-13(8-11(15-17)7-10(2)3)14(19)16-6-5-12(18)9-16/h8,10,12,18H,4-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-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 [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 70717897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).