1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea

C15H26N4O3 — CID 146129133

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)c1nn(C)cc1NC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H26N4O3/c1-11(2)13-12(9-19(4)17-13)16-14(20)18(3)10-15(21)5-7-22-8-6-15/h9,11,21H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyDDZLIDMFFIOVPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.55
Rot. Bonds4

About 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea

1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea (PubChem CID 146129133) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
PubChem CID146129133
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)c1nn(C)cc1NC(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C15H26N4O3/c1-11(2)13-12(9-19(4)17-13)16-14(20)18(3)10-15(21)5-7-22-8-6-15/h9,11,21H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyDDZLIDMFFIOVPY-UHFFFAOYSA-N
XLogP1.55
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea (CID 146129133) is 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea is CC(C)c1nn(C)cc1NC(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is DDZLIDMFFIOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(2)13-12(9-19(4)17-13)16-14(20)18(3)10-15(21)5-7-22-8-6-15/h9,11,21H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea?
1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 146129133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).