1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea

C15H28N4O — CID 91661854

IUPAC1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
SMILESCc1cc(CC(C)NC(=O)NCC(C)(C)C(C)C)n[nH]1
InChIInChI=1S/C15H28N4O/c1-10(2)15(5,6)9-16-14(20)17-11(3)7-13-8-12(4)18-19-13/h8,10-11H,7,9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyXTJULLZBNCWFDO-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.63
Rot. Bonds6

About 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea

1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea (PubChem CID 91661854) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
PubChem CID91661854
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea
SMILESCc1cc(CC(C)NC(=O)NCC(C)(C)C(C)C)n[nH]1
InChIInChI=1S/C15H28N4O/c1-10(2)15(5,6)9-16-14(20)17-11(3)7-13-8-12(4)18-19-13/h8,10-11H,7,9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyXTJULLZBNCWFDO-UHFFFAOYSA-N
XLogP2.63
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
The IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea (CID 91661854) is 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea.
What is the SMILES notation for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
The canonical SMILES for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea is Cc1cc(CC(C)NC(=O)NCC(C)(C)C(C)C)n[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
The InChIKey is XTJULLZBNCWFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10(2)15(5,6)9-16-14(20)17-11(3)7-13-8-12(4)18-19-13/h8,10-11H,7,9H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea?
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea has a molecular weight of 280.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,3-trimethylbutyl)urea is sourced from PubChem (CID 91661854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).