2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea

C10H19N5O — CID 143553767

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea
SMILESCC(C)(C)c1cc(N)n(CCNC(N)=O)n1
InChIInChI=1S/C10H19N5O/c1-10(2,3)7-6-8(11)15(14-7)5-4-13-9(12)16/h6H,4-5,11H2,1-3H3,(H3,12,13,16)
InChIKeySENQKQJJZQPGEI-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.43
Rot. Bonds3

About 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea

2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea (PubChem CID 143553767) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea
PubChem CID143553767
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea
SMILESCC(C)(C)c1cc(N)n(CCNC(N)=O)n1
InChIInChI=1S/C10H19N5O/c1-10(2,3)7-6-8(11)15(14-7)5-4-13-9(12)16/h6H,4-5,11H2,1-3H3,(H3,12,13,16)
InChIKeySENQKQJJZQPGEI-UHFFFAOYSA-N
XLogP0.43
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea (CID 143553767) is 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea is CC(C)(C)c1cc(N)n(CCNC(N)=O)n1.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea?
The InChIKey is SENQKQJJZQPGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-10(2,3)7-6-8(11)15(14-7)5-4-13-9(12)16/h6H,4-5,11H2,1-3H3,(H3,12,13,16).
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea?
2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea has a molecular weight of 225.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)ethylurea is sourced from PubChem (CID 143553767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).