1-tert-butyl-3-(1-propylpyrazol-3-yl)urea

C11H20N4O — CID 53017239

IUPAC1-tert-butyl-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H20N4O/c1-5-7-15-8-6-9(14-15)12-10(16)13-11(2,3)4/h6,8H,5,7H2,1-4H3,(H2,12,13,14,16)
InChIKeyBBEPBEWHYLVVBX-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.21
Rot. Bonds3

About 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea

1-tert-butyl-3-(1-propylpyrazol-3-yl)urea (PubChem CID 53017239) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-propylpyrazol-3-yl)urea
PubChem CID53017239
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-tert-butyl-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H20N4O/c1-5-7-15-8-6-9(14-15)12-10(16)13-11(2,3)4/h6,8H,5,7H2,1-4H3,(H2,12,13,14,16)
InChIKeyBBEPBEWHYLVVBX-UHFFFAOYSA-N
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea (CID 53017239) is 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea is CCCn1ccc(NC(=O)NC(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea?
The InChIKey is BBEPBEWHYLVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-5-7-15-8-6-9(14-15)12-10(16)13-11(2,3)4/h6,8H,5,7H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea?
1-tert-butyl-3-(1-propylpyrazol-3-yl)urea has a molecular weight of 224.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-propylpyrazol-3-yl)urea is sourced from PubChem (CID 53017239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).