(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone

C16H20N4O2 — CID 121279730

IUPAC(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-11(2)13-9-14(19-18-13)16(21)20-8-6-12(10-20)22-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,19)
InChIKeyZYHBEOXHPDWBGM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.22
Rot. Bonds4

About (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone

(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 121279730) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID121279730
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)n[nH]1
InChIInChI=1S/C16H20N4O2/c1-11(2)13-9-14(19-18-13)16(21)20-8-6-12(10-20)22-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,19)
InChIKeyZYHBEOXHPDWBGM-UHFFFAOYSA-N
XLogP2.22
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone (CID 121279730) is (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)n[nH]1.
What is the InChIKey of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is ZYHBEOXHPDWBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)13-9-14(19-18-13)16(21)20-8-6-12(10-20)22-15-5-3-4-7-17-15/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,19).
What are the key properties of (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone?
(5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1H-pyrazol-3-yl)-(3-pyridin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 121279730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).