1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea

C15H20N4O — CID 155539580

IUPAC1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-12(2)17-15(20)16-9-11-19-10-8-14(18-19)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H2,16,17,20)
InChIKeyMFGNNTOKEUDWJM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea

1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea (PubChem CID 155539580) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
PubChem CID155539580
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-12(2)17-15(20)16-9-11-19-10-8-14(18-19)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H2,16,17,20)
InChIKeyMFGNNTOKEUDWJM-UHFFFAOYSA-N
XLogP2.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea (CID 155539580) is 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCn1ccc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is MFGNNTOKEUDWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(2)17-15(20)16-9-11-19-10-8-14(18-19)13-6-4-3-5-7-13/h3-8,10,12H,9,11H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea?
1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 272.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenylpyrazol-1-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 155539580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).