1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C11H20N4O2 — CID 111507032

IUPAC1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(O)CCNC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-8(16)4-5-12-11(17)14-9(2)10-6-13-15(3)7-10/h6-9,16H,4-5H2,1-3H3,(H2,12,14,17)
InChIKeyDSFKKHNMTHEJRF-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.55
Rot. Bonds5

About 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 111507032) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID111507032
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(O)CCNC(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H20N4O2/c1-8(16)4-5-12-11(17)14-9(2)10-6-13-15(3)7-10/h6-9,16H,4-5H2,1-3H3,(H2,12,14,17)
InChIKeyDSFKKHNMTHEJRF-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507020
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
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382
N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
CID 114286312
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95932504
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990077
1-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481801
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 111507032) is 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is CC(O)CCNC(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is DSFKKHNMTHEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(16)4-5-12-11(17)14-9(2)10-6-13-15(3)7-10/h6-9,16H,4-5H2,1-3H3,(H2,12,14,17).
What are the key properties of 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 240.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 111507032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).