1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C16H25N5O2 — CID 126946224

IUPAC1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(CC4CCCOC4)C3)c2)C1=O
InChIInChI=1S/C16H25N5O2/c1-18-4-5-20(16(18)22)14-7-17-21(11-14)15-9-19(10-15)8-13-3-2-6-23-12-13/h7,11,13,15H,2-6,8-10,12H2,1H3
InChIKeyBWOXAZFISTYVFY-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.04
Rot. Bonds4

About 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946224) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126946224
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(CC4CCCOC4)C3)c2)C1=O
InChIInChI=1S/C16H25N5O2/c1-18-4-5-20(16(18)22)14-7-17-21(11-14)15-9-19(10-15)8-13-3-2-6-23-12-13/h7,11,13,15H,2-6,8-10,12H2,1H3
InChIKeyBWOXAZFISTYVFY-UHFFFAOYSA-N
XLogP1.04
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
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-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
4-methyl-6-[[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]morpholin-3-one
CID 126946213
4-[2-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 126948772
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
1-methyl-3-[1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946203
1-methyl-3-[1-[1-[(5-methylpyrazin-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946140
1-methyl-3-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]piperidin-2-one
CID 126946217
1-methyl-3-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948760
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948759
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-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946224) is 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(CC4CCCOC4)C3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is BWOXAZFISTYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-18-4-5-20(16(18)22)14-7-17-21(11-14)15-9-19(10-15)8-13-3-2-6-23-12-13/h7,11,13,15H,2-6,8-10,12H2,1H3.
What are the key properties of 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-(oxan-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).