1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea

C11H20N4O2 — CID 111473435

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCC(C)C(CCO)NC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-8(2)10(4-5-16)14-11(17)13-9-6-12-15(3)7-9/h6-8,10,16H,4-5H2,1-3H3,(H2,13,14,17)
InChIKeyLEXWQYQXTIDYQV-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.95
Rot. Bonds5

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 111473435) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID111473435
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCC(C)C(CCO)NC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-8(2)10(4-5-16)14-11(17)13-9-6-12-15(3)7-9/h6-8,10,16H,4-5H2,1-3H3,(H2,13,14,17)
InChIKeyLEXWQYQXTIDYQV-UHFFFAOYSA-N
XLogP0.95
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111521235
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
1-[6-(dimethylamino)-3-pyridinyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473738
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
1-[(3R)-1-hydroxy-4-methylpentan-3-yl]-3-(4-nitrophenyl)urea
CID 97318875

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea (CID 111473435) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea is CC(C)C(CCO)NC(=O)Nc1cnn(C)c1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is LEXWQYQXTIDYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)10(4-5-16)14-11(17)13-9-6-12-15(3)7-9/h6-8,10,16H,4-5H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 240.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 111473435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).