3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one

C17H30N4O — CID 56710629

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)CCc2n[nH]c(C)c2C)CCN1C(C)C
InChIInChI=1S/C17H30N4O/c1-6-15-11-20(9-10-21(15)12(2)3)17(22)8-7-16-13(4)14(5)18-19-16/h12,15H,6-11H2,1-5H3,(H,18,19)
InChIKeySUKJZHSZXJDRKN-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.29
Rot. Bonds5

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 56710629) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID56710629
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC1CN(C(=O)CCc2n[nH]c(C)c2C)CCN1C(C)C
InChIInChI=1S/C17H30N4O/c1-6-15-11-20(9-10-21(15)12(2)3)17(22)8-7-16-13(4)14(5)18-19-16/h12,15H,6-11H2,1-5H3,(H,18,19)
InChIKeySUKJZHSZXJDRKN-UHFFFAOYSA-N
XLogP2.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 56710629) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one is CCC1CN(C(=O)CCc2n[nH]c(C)c2C)CCN1C(C)C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is SUKJZHSZXJDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-6-15-11-20(9-10-21(15)12(2)3)17(22)8-7-16-13(4)14(5)18-19-16/h12,15H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 306.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-(3-ethyl-4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 56710629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).