1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea

C10H18N4O — CID 115629319

IUPAC1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCn1cccn1
InChIInChI=1S/C10H18N4O/c1-3-13(4-2)10(15)11-7-9-14-8-5-6-12-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,11,15)
InChIKeyZSDCAELGAOHPLN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.93
Rot. Bonds5

About 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea

1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 115629319) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
PubChem CID115629319
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCn1cccn1
InChIInChI=1S/C10H18N4O/c1-3-13(4-2)10(15)11-7-9-14-8-5-6-12-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,11,15)
InChIKeyZSDCAELGAOHPLN-UHFFFAOYSA-N
XLogP0.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
CID 103731722
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-[cyclopropylmethyl(2-pyrazol-1-ylethylcarbamoyl)amino]acetic acid
CID 61461201
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246127
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-propyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 115590289
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
CID 131925005

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea (CID 115629319) is 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea is CCN(CC)C(=O)NCCn1cccn1.
What is the InChIKey of 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is ZSDCAELGAOHPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-13(4-2)10(15)11-7-9-14-8-5-6-12-14/h5-6,8H,3-4,7,9H2,1-2H3,(H,11,15).
What are the key properties of 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea?
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 210.28 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 115629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).