(3-tert-butyl-1-phenylpyrazol-5-yl)urea

C14H18N4O — CID 11010668

IUPAC(3-tert-butyl-1-phenylpyrazol-5-yl)urea
SMILESCC(C)(C)c1cc(NC(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-9-12(16-13(15)19)18(17-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H3,15,16,19)
InChIKeyRDJZUHCXQSKIBK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.66
Rot. Bonds2

About (3-tert-butyl-1-phenylpyrazol-5-yl)urea

(3-tert-butyl-1-phenylpyrazol-5-yl)urea (PubChem CID 11010668) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-tert-butyl-1-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name(3-tert-butyl-1-phenylpyrazol-5-yl)urea
PubChem CID11010668
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3-tert-butyl-1-phenylpyrazol-5-yl)urea
SMILESCC(C)(C)c1cc(NC(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-9-12(16-13(15)19)18(17-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H3,15,16,19)
InChIKeyRDJZUHCXQSKIBK-UHFFFAOYSA-N
XLogP2.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-phenylpyrazol-5-yl)urea?
The IUPAC name of (3-tert-butyl-1-phenylpyrazol-5-yl)urea (CID 11010668) is (3-tert-butyl-1-phenylpyrazol-5-yl)urea.
What is the SMILES notation for (3-tert-butyl-1-phenylpyrazol-5-yl)urea?
The canonical SMILES for (3-tert-butyl-1-phenylpyrazol-5-yl)urea is CC(C)(C)c1cc(NC(N)=O)n(-c2ccccc2)n1.
What is the InChIKey of (3-tert-butyl-1-phenylpyrazol-5-yl)urea?
The InChIKey is RDJZUHCXQSKIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)11-9-12(16-13(15)19)18(17-11)10-7-5-4-6-8-10/h4-9H,1-3H3,(H3,15,16,19).
What are the key properties of (3-tert-butyl-1-phenylpyrazol-5-yl)urea?
(3-tert-butyl-1-phenylpyrazol-5-yl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 11010668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).