1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea

C14H26N4O2 — CID 47199691

IUPAC1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCCCCN(CCO)C(=O)Nc1ccnn1CC(C)C
InChIInChI=1S/C14H26N4O2/c1-4-5-8-17(9-10-19)14(20)16-13-6-7-15-18(13)11-12(2)3/h6-7,12,19H,4-5,8-11H2,1-3H3,(H,16,20)
InChIKeyBEQVLNGPHRPSKN-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.17
Rot. Bonds8

About 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea

1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea (PubChem CID 47199691) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
PubChem CID47199691
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCCCCN(CCO)C(=O)Nc1ccnn1CC(C)C
InChIInChI=1S/C14H26N4O2/c1-4-5-8-17(9-10-19)14(20)16-13-6-7-15-18(13)11-12(2)3/h6-7,12,19H,4-5,8-11H2,1-3H3,(H,16,20)
InChIKeyBEQVLNGPHRPSKN-UHFFFAOYSA-N
XLogP2.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea (CID 47199691) is 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea is CCCCN(CCO)C(=O)Nc1ccnn1CC(C)C.
What is the InChIKey of 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The InChIKey is BEQVLNGPHRPSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-5-8-17(9-10-19)14(20)16-13-6-7-15-18(13)11-12(2)3/h6-7,12,19H,4-5,8-11H2,1-3H3,(H,16,20).
What are the key properties of 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea has a molecular weight of 282.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea is sourced from PubChem (CID 47199691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).