1-ethyl-3-(1-ethylpyrazol-4-yl)urea

C8H14N4O — CID 115581870

IUPAC1-ethyl-3-(1-ethylpyrazol-4-yl)urea
SMILESCCNC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C8H14N4O/c1-3-9-8(13)11-7-5-10-12(4-2)6-7/h5-6H,3-4H2,1-2H3,(H2,9,11,13)
InChIKeyFFWWSNMWPKPYAR-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.04
Rot. Bonds3

About 1-ethyl-3-(1-ethylpyrazol-4-yl)urea

1-ethyl-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 115581870) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-ethyl-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-ethylpyrazol-4-yl)urea
PubChem CID115581870
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-ethyl-3-(1-ethylpyrazol-4-yl)urea
SMILESCCNC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C8H14N4O/c1-3-9-8(13)11-7-5-10-12(4-2)6-7/h5-6H,3-4H2,1-2H3,(H2,9,11,13)
InChIKeyFFWWSNMWPKPYAR-UHFFFAOYSA-N
XLogP1.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
4-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxybutanoic acid
CID 103158622
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-ethyl-3-(1-ethylpyrazol-4-yl)urea (CID 115581870) is 1-ethyl-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-ethylpyrazol-4-yl)urea is CCNC(=O)Nc1cnn(CC)c1.
What is the InChIKey of 1-ethyl-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is FFWWSNMWPKPYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-9-8(13)11-7-5-10-12(4-2)6-7/h5-6H,3-4H2,1-2H3,(H2,9,11,13).
What are the key properties of 1-ethyl-3-(1-ethylpyrazol-4-yl)urea?
1-ethyl-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 182.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 115581870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).