1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea

C14H24N4O3 — CID 138010365

IUPAC1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea
SMILESCc1nn(C)c(C)c1C(O)CNC(=O)N[C@@H]1CCCOC1
InChIInChI=1S/C14H24N4O3/c1-9-13(10(2)18(3)17-9)12(19)7-15-14(20)16-11-5-4-6-21-8-11/h11-12,19H,4-8H2,1-3H3,(H2,15,16,20)/t11-,12?/m1/s1
InChIKeyCWUYBROHJQMQQN-JHJMLUEUSA-N
MW296.37 g/mol
LogP0.55
Rot. Bonds4

About 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea

1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea (PubChem CID 138010365) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea
PubChem CID138010365
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea
SMILESCc1nn(C)c(C)c1C(O)CNC(=O)N[C@@H]1CCCOC1
InChIInChI=1S/C14H24N4O3/c1-9-13(10(2)18(3)17-9)12(19)7-15-14(20)16-11-5-4-6-21-8-11/h11-12,19H,4-8H2,1-3H3,(H2,15,16,20)/t11-,12?/m1/s1
InChIKeyCWUYBROHJQMQQN-JHJMLUEUSA-N
XLogP0.55
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea?
The IUPAC name of 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea (CID 138010365) is 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea is Cc1nn(C)c(C)c1C(O)CNC(=O)N[C@@H]1CCCOC1.
What is the InChIKey of 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea?
The InChIKey is CWUYBROHJQMQQN-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9-13(10(2)18(3)17-9)12(19)7-15-14(20)16-11-5-4-6-21-8-11/h11-12,19H,4-8H2,1-3H3,(H2,15,16,20)/t11-,12?/m1/s1.
What are the key properties of 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea?
1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea has a molecular weight of 296.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3-[(3R)-oxan-3-yl]urea is sourced from PubChem (CID 138010365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).