3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one

C14H22N2O2 — CID 144506285

IUPAC3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one
SMILESCCC(C(C)=O)n1nc(C2CC2)c(CCO)c1C
InChIInChI=1S/C14H22N2O2/c1-4-13(10(3)18)16-9(2)12(7-8-17)14(15-16)11-5-6-11/h11,13,17H,4-8H2,1-3H3
InChIKeyFCELCKYANZZKAA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds6

About 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one

3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one (PubChem CID 144506285) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one.

Molecular Properties

Compound Name3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one
PubChem CID144506285
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one
SMILESCCC(C(C)=O)n1nc(C2CC2)c(CCO)c1C
InChIInChI=1S/C14H22N2O2/c1-4-13(10(3)18)16-9(2)12(7-8-17)14(15-16)11-5-6-11/h11,13,17H,4-8H2,1-3H3
InChIKeyFCELCKYANZZKAA-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one?
The IUPAC name of 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one (CID 144506285) is 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one.
What is the SMILES notation for 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one?
The canonical SMILES for 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one is CCC(C(C)=O)n1nc(C2CC2)c(CCO)c1C.
What is the InChIKey of 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one?
The InChIKey is FCELCKYANZZKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(10(3)18)16-9(2)12(7-8-17)14(15-16)11-5-6-11/h11,13,17H,4-8H2,1-3H3.
What are the key properties of 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one?
3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]pentan-2-one is sourced from PubChem (CID 144506285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).