1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one

C14H22N4O — CID 70919580

IUPAC1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one
SMILESCC1CCC(Cn2ccc(N3CCNC3=O)n2)CC1
InChIInChI=1S/C14H22N4O/c1-11-2-4-12(5-3-11)10-17-8-6-13(16-17)18-9-7-15-14(18)19/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,15,19)
InChIKeyASWIKTSMKHVWAJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.24
Rot. Bonds3

About 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one

1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one (PubChem CID 70919580) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one
PubChem CID70919580
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one
SMILESCC1CCC(Cn2ccc(N3CCNC3=O)n2)CC1
InChIInChI=1S/C14H22N4O/c1-11-2-4-12(5-3-11)10-17-8-6-13(16-17)18-9-7-15-14(18)19/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,15,19)
InChIKeyASWIKTSMKHVWAJ-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one (CID 70919580) is 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one is CC1CCC(Cn2ccc(N3CCNC3=O)n2)CC1.
What is the InChIKey of 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is ASWIKTSMKHVWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-2-4-12(5-3-11)10-17-8-6-13(16-17)18-9-7-15-14(18)19/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,15,19).
What are the key properties of 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one?
1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methylcyclohexyl)methyl]pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 70919580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).