(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C12H19N3O2 — CID 136521963

IUPAC(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC(C(C)O)C2)c1C
InChIInChI=1S/C12H19N3O2/c1-7-8(2)13-14-11(7)12(17)15-5-4-10(6-15)9(3)16/h9-10,16H,4-6H2,1-3H3,(H,13,14)
InChIKeyTUSLAFUOGALFQD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.87
Rot. Bonds2

About (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 136521963) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID136521963
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC(C(C)O)C2)c1C
InChIInChI=1S/C12H19N3O2/c1-7-8(2)13-14-11(7)12(17)15-5-4-10(6-15)9(3)16/h9-10,16H,4-6H2,1-3H3,(H,13,14)
InChIKeyTUSLAFUOGALFQD-UHFFFAOYSA-N
XLogP0.87
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 136521963) is (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCC(C(C)O)C2)c1C.
What is the InChIKey of (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is TUSLAFUOGALFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7-8(2)13-14-11(7)12(17)15-5-4-10(6-15)9(3)16/h9-10,16H,4-6H2,1-3H3,(H,13,14).
What are the key properties of (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 237.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136521963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).