(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone

C9H13N3O2 — CID 103727095

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-9(14)3-5-12(6-9)8(13)7-2-4-10-11-7/h2,4,14H,3,5-6H2,1H3,(H,10,11)
InChIKeyUWEGCWPVFIPAEC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.01
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone (PubChem CID 103727095) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
PubChem CID103727095
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C9H13N3O2/c1-9(14)3-5-12(6-9)8(13)7-2-4-10-11-7/h2,4,14H,3,5-6H2,1H3,(H,10,11)
InChIKeyUWEGCWPVFIPAEC-UHFFFAOYSA-N
XLogP0.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone (CID 103727095) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone is CC1(O)CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is UWEGCWPVFIPAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(14)3-5-12(6-9)8(13)7-2-4-10-11-7/h2,4,14H,3,5-6H2,1H3,(H,10,11).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 103727095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).