4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one

C16H26N2O — CID 64773293

IUPAC4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C16H26N2O/c1-11(2)13-5-6-16(19)14(9-13)10-15-7-8-18(17-15)12(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyKLACPDLNMSZLSS-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.65
Rot. Bonds4

About 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one

4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one (PubChem CID 64773293) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one
PubChem CID64773293
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(Cc2ccn(C(C)C)n2)C1
InChIInChI=1S/C16H26N2O/c1-11(2)13-5-6-16(19)14(9-13)10-15-7-8-18(17-15)12(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3
InChIKeyKLACPDLNMSZLSS-UHFFFAOYSA-N
XLogP3.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one (CID 64773293) is 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one is CC(C)C1CCC(=O)C(Cc2ccn(C(C)C)n2)C1.
What is the InChIKey of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one?
The InChIKey is KLACPDLNMSZLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)13-5-6-16(19)14(9-13)10-15-7-8-18(17-15)12(3)4/h7-8,11-14H,5-6,9-10H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one?
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one has a molecular weight of 262.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 64773293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).