1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea

C14H24N4O2 — CID 99830772

IUPAC1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
SMILESCC(C)(C)n1nccc1NC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H24N4O2/c1-14(2,3)18-12(8-9-15-18)17-13(20)16-10-6-4-5-7-11(10)19/h8-11,19H,4-7H2,1-3H3,(H2,16,17,20)/t10-,11-/m1/s1
InChIKeyLKTKJEIDBKFGGO-GHMZBOCLSA-N
MW280.37 g/mol
LogP2.06
Rot. Bonds2

About 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea

1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea (PubChem CID 99830772) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
PubChem CID99830772
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
SMILESCC(C)(C)n1nccc1NC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H24N4O2/c1-14(2,3)18-12(8-9-15-18)17-13(20)16-10-6-4-5-7-11(10)19/h8-11,19H,4-7H2,1-3H3,(H2,16,17,20)/t10-,11-/m1/s1
InChIKeyLKTKJEIDBKFGGO-GHMZBOCLSA-N
XLogP2.06
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea (CID 99830772) is 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea is CC(C)(C)n1nccc1NC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
The InChIKey is LKTKJEIDBKFGGO-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)18-12(8-9-15-18)17-13(20)16-10-6-4-5-7-11(10)19/h8-11,19H,4-7H2,1-3H3,(H2,16,17,20)/t10-,11-/m1/s1.
What are the key properties of 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea?
1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 99830772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).