1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

C14H26N4O2 — CID 111475816

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)CC(CO)NC(=O)Nc1cnn(CC(C)C)c1
InChIInChI=1S/C14H26N4O2/c1-10(2)5-12(9-19)16-14(20)17-13-6-15-18(8-13)7-11(3)4/h6,8,10-12,19H,5,7,9H2,1-4H3,(H2,16,17,20)
InChIKeyQMUZKETYFPWEOT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.07
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (PubChem CID 111475816) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
PubChem CID111475816
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
SMILESCC(C)CC(CO)NC(=O)Nc1cnn(CC(C)C)c1
InChIInChI=1S/C14H26N4O2/c1-10(2)5-12(9-19)16-14(20)17-13-6-15-18(8-13)7-11(3)4/h6,8,10-12,19H,5,7,9H2,1-4H3,(H2,16,17,20)
InChIKeyQMUZKETYFPWEOT-UHFFFAOYSA-N
XLogP2.07
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71991778
1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111840718
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 71861224
1-(2-tert-butylpyrimidin-5-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424877
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111521235
1-(2-hydroxy-2-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475794
4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122085895
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435258
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea (CID 111475816) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is CC(C)CC(CO)NC(=O)Nc1cnn(CC(C)C)c1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
The InChIKey is QMUZKETYFPWEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)5-12(9-19)16-14(20)17-13-6-15-18(8-13)7-11(3)4/h6,8,10-12,19H,5,7,9H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea has a molecular weight of 282.39 g/mol, XLogP of 2.07, 7 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-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea is sourced from PubChem (CID 111475816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).