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

C10H18N4O — CID 47200322

IUPAC1-butyl-3-(1-ethylpyrazol-4-yl)urea
SMILESCCCCNC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C10H18N4O/c1-3-5-6-11-10(15)13-9-7-12-14(4-2)8-9/h7-8H,3-6H2,1-2H3,(H2,11,13,15)
InChIKeyCDXDFNPBNSBQKE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.82
Rot. Bonds5

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

1-butyl-3-(1-ethylpyrazol-4-yl)urea (PubChem CID 47200322) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-butyl-3-(1-ethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-ethylpyrazol-4-yl)urea
PubChem CID47200322
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-butyl-3-(1-ethylpyrazol-4-yl)urea
SMILESCCCCNC(=O)Nc1cnn(CC)c1
InChIInChI=1S/C10H18N4O/c1-3-5-6-11-10(15)13-9-7-12-14(4-2)8-9/h7-8H,3-6H2,1-2H3,(H2,11,13,15)
InChIKeyCDXDFNPBNSBQKE-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 118766750
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
CID 47200418
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-ethylpyrazol-4-yl)urea?
The IUPAC name of 1-butyl-3-(1-ethylpyrazol-4-yl)urea (CID 47200322) is 1-butyl-3-(1-ethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-butyl-3-(1-ethylpyrazol-4-yl)urea?
The canonical SMILES for 1-butyl-3-(1-ethylpyrazol-4-yl)urea is CCCCNC(=O)Nc1cnn(CC)c1.
What is the InChIKey of 1-butyl-3-(1-ethylpyrazol-4-yl)urea?
The InChIKey is CDXDFNPBNSBQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-5-6-11-10(15)13-9-7-12-14(4-2)8-9/h7-8H,3-6H2,1-2H3,(H2,11,13,15).
What are the key properties of 1-butyl-3-(1-ethylpyrazol-4-yl)urea?
1-butyl-3-(1-ethylpyrazol-4-yl)urea has a molecular weight of 210.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-ethylpyrazol-4-yl)urea is sourced from PubChem (CID 47200322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).