1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one

C16H25N5O — CID 126946060

IUPAC1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(C4CCCCC4)C3)c2)C1=O
InChIInChI=1S/C16H25N5O/c1-18-7-8-20(16(18)22)14-9-17-21(12-14)15-10-19(11-15)13-5-3-2-4-6-13/h9,12-13,15H,2-8,10-11H2,1H3
InChIKeyMOKHWAMCSSCYQQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds3

About 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126946060) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126946060
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(C4CCCCC4)C3)c2)C1=O
InChIInChI=1S/C16H25N5O/c1-18-7-8-20(16(18)22)14-9-17-21(12-14)15-10-19(11-15)13-5-3-2-4-6-13/h9,12-13,15H,2-8,10-11H2,1H3
InChIKeyMOKHWAMCSSCYQQ-UHFFFAOYSA-N
XLogP1.94
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-2-one
CID 126946217
1-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
N-cyclopentyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidine-1-carboxamide
CID 126945976
1-methyl-3-[1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946203
6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]piperidin-2-one
CID 126946131
1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946224
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948793
1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946288
1-methyl-3-[1-[1-[(5-methylpyrazin-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946140
1-methyl-3-[1-[1-(5-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948796
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126946060) is 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CN(C4CCCCC4)C3)c2)C1=O.
What is the InChIKey of 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is MOKHWAMCSSCYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-18-7-8-20(16(18)22)14-9-17-21(12-14)15-10-19(11-15)13-5-3-2-4-6-13/h9,12-13,15H,2-8,10-11H2,1H3.
What are the key properties of 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126946060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).