1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C15H28N4O2 — CID 111507020

IUPAC1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCCCC(O)(CCC)CNC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C15H28N4O2/c1-5-7-15(21,8-6-2)11-16-14(20)18-12(3)13-9-17-19(4)10-13/h9-10,12,21H,5-8,11H2,1-4H3,(H2,16,18,20)
InChIKeyAZDJBIRDSJETQB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.11
Rot. Bonds8

About 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 111507020) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID111507020
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCCCC(O)(CCC)CNC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C15H28N4O2/c1-5-7-15(21,8-6-2)11-16-14(20)18-12(3)13-9-17-19(4)10-13/h9-10,12,21H,5-8,11H2,1-4H3,(H2,16,18,20)
InChIKeyAZDJBIRDSJETQB-UHFFFAOYSA-N
XLogP2.11
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
2-(2,2-dimethylbutylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 103463151
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481801
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
CID 122159814
1-[3-(4-chlorophenyl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130730
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95932504
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990077
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 111507020) is 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is CCCC(O)(CCC)CNC(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is AZDJBIRDSJETQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-7-15(21,8-6-2)11-16-14(20)18-12(3)13-9-17-19(4)10-13/h9-10,12,21H,5-8,11H2,1-4H3,(H2,16,18,20).
What are the key properties of 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 296.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 111507020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).