1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one

C12H17ClN4O — CID 116625086

IUPAC1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCc1nn(C)c(Cn2ccn(C(C)C)c2=O)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-8(2)17-6-5-16(12(17)18)7-10-11(13)9(3)14-15(10)4/h5-6,8H,7H2,1-4H3
InChIKeySKXCJFACXAOFPQ-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.97
Rot. Bonds3

About 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 116625086) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID116625086
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCc1nn(C)c(Cn2ccn(C(C)C)c2=O)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-8(2)17-6-5-16(12(17)18)7-10-11(13)9(3)14-15(10)4/h5-6,8H,7H2,1-4H3
InChIKeySKXCJFACXAOFPQ-UHFFFAOYSA-N
XLogP1.97
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one (CID 116625086) is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one is Cc1nn(C)c(Cn2ccn(C(C)C)c2=O)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is SKXCJFACXAOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-8(2)17-6-5-16(12(17)18)7-10-11(13)9(3)14-15(10)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 268.75 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).