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

C17H24N4O2 — CID 111424876

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)10-16(12-22)20-17(23)19-15-6-4-14(5-7-15)11-21-9-3-8-18-21/h3-9,13,16,22H,10-12H2,1-2H3,(H2,19,20,23)
InChIKeyQVSVZNXTMYFVJM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.46
Rot. Bonds7

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

1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (PubChem CID 111424876) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
PubChem CID111424876
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
SMILESCC(C)CC(CO)NC(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)10-16(12-22)20-17(23)19-15-6-4-14(5-7-15)11-21-9-3-8-18-21/h3-9,13,16,22H,10-12H2,1-2H3,(H2,19,20,23)
InChIKeyQVSVZNXTMYFVJM-UHFFFAOYSA-N
XLogP2.46
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
N-propyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamoylamino]acetamide
CID 60591643
3-methyl-2-(3-methylbutanoylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55970952
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111474317
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea (CID 111424876) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea is CC(C)CC(CO)NC(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
The InChIKey is QVSVZNXTMYFVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)10-16(12-22)20-17(23)19-15-6-4-14(5-7-15)11-21-9-3-8-18-21/h3-9,13,16,22H,10-12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea has a molecular weight of 316.40 g/mol, XLogP of 2.46, 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-[4-(pyrazol-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 111424876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).