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

C16H28N4O2 — CID 86783840

IUPAC1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCc1cc(CC(C)NC(=O)NC2CC(C)(C)OC2(C)C)n[nH]1
InChIInChI=1S/C16H28N4O2/c1-10(7-12-8-11(2)19-20-12)17-14(21)18-13-9-15(3,4)22-16(13,5)6/h8,10,13H,7,9H2,1-6H3,(H,19,20)(H2,17,18,21)
InChIKeyUZQSWEHHUVVPJM-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.29
Rot. Bonds4

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

1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (PubChem CID 86783840) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
PubChem CID86783840
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCc1cc(CC(C)NC(=O)NC2CC(C)(C)OC2(C)C)n[nH]1
InChIInChI=1S/C16H28N4O2/c1-10(7-12-8-11(2)19-20-12)17-14(21)18-13-9-15(3,4)22-16(13,5)6/h8,10,13H,7,9H2,1-6H3,(H,19,20)(H2,17,18,21)
InChIKeyUZQSWEHHUVVPJM-UHFFFAOYSA-N
XLogP2.29
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (CID 86783840) is 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.
What is the SMILES notation for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The canonical SMILES for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is Cc1cc(CC(C)NC(=O)NC2CC(C)(C)OC2(C)C)n[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The InChIKey is UZQSWEHHUVVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-10(7-12-8-11(2)19-20-12)17-14(21)18-13-9-15(3,4)22-16(13,5)6/h8,10,13H,7,9H2,1-6H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea has a molecular weight of 308.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is sourced from PubChem (CID 86783840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).