1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea

C11H20N4O — CID 115583841

IUPAC1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCCN(CC)C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C11H20N4O/c1-4-14(5-2)11(16)13-10(3)9-15-8-6-7-12-15/h6-8,10H,4-5,9H2,1-3H3,(H,13,16)
InChIKeyIGLYDBFMOYSNQN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.32
Rot. Bonds5

About 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea

1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 115583841) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID115583841
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCCN(CC)C(=O)NC(C)Cn1cccn1
InChIInChI=1S/C11H20N4O/c1-4-14(5-2)11(16)13-10(3)9-15-8-6-7-12-15/h6-8,10H,4-5,9H2,1-3H3,(H,13,16)
InChIKeyIGLYDBFMOYSNQN-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
CID 62821496
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94031034
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51084495
(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 109374296

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 115583841) is 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea is CCN(CC)C(=O)NC(C)Cn1cccn1.
What is the InChIKey of 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is IGLYDBFMOYSNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-14(5-2)11(16)13-10(3)9-15-8-6-7-12-15/h6-8,10H,4-5,9H2,1-3H3,(H,13,16).
What are the key properties of 1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 224.31 g/mol, XLogP of 1.32, 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-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 115583841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).