1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one

C15H24N4O — CID 116625039

IUPAC1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCCC(CC)n1ccc(Cn2ccn(C(C)C)c2=O)n1
InChIInChI=1S/C15H24N4O/c1-5-14(6-2)19-8-7-13(16-19)11-17-9-10-18(12(3)4)15(17)20/h7-10,12,14H,5-6,11H2,1-4H3
InChIKeyFBIRMNMLCNASCM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.84
Rot. Bonds6

About 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 116625039) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID116625039
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCCC(CC)n1ccc(Cn2ccn(C(C)C)c2=O)n1
InChIInChI=1S/C15H24N4O/c1-5-14(6-2)19-8-7-13(16-19)11-17-9-10-18(12(3)4)15(17)20/h7-10,12,14H,5-6,11H2,1-4H3
InChIKeyFBIRMNMLCNASCM-UHFFFAOYSA-N
XLogP2.84
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrimidin-2-one
CID 116618391
3-iodo-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 79784713
6-chloro-5-methoxy-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 114585455
1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
CID 64779775
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359509
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114500471
3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
CID 64785210
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-propan-2-ylimidazol-2-one
CID 80581389
5-ethyl-5-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 64778325

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one (CID 116625039) is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one is CCC(CC)n1ccc(Cn2ccn(C(C)C)c2=O)n1.
What is the InChIKey of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is FBIRMNMLCNASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-14(6-2)19-8-7-13(16-19)11-17-9-10-18(12(3)4)15(17)20/h7-10,12,14H,5-6,11H2,1-4H3.
What are the key properties of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).