3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea

C14H18N4O2 — CID 738619

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea
SMILESCc1c(NC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C14H18N4O2/c1-10-12(15-14(20)16(2)3)13(19)18(17(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,15,20)
InChIKeyYWPQUAUGYSBDQN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.58
Rot. Bonds2

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea (PubChem CID 738619) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea
PubChem CID738619
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea
SMILESCc1c(NC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C14H18N4O2/c1-10-12(15-14(20)16(2)3)13(19)18(17(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,15,20)
InChIKeyYWPQUAUGYSBDQN-UHFFFAOYSA-N
XLogP1.58
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea (CID 738619) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea is Cc1c(NC(=O)N(C)C)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea?
The InChIKey is YWPQUAUGYSBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-12(15-14(20)16(2)3)13(19)18(17(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,15,20).
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea has a molecular weight of 274.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dimethylurea is sourced from PubChem (CID 738619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).