1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea

C18H24N4O3 — CID 72719654

IUPAC1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
SMILESCCCCOc1ccc(NC(=O)Nc2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C18H24N4O3/c1-2-3-9-25-17-6-4-14(5-7-17)20-18(23)21-15-11-19-22(12-15)16-8-10-24-13-16/h4-7,11-12,16H,2-3,8-10,13H2,1H3,(H2,20,21,23)
InChIKeyIBGCDMQNVLNHIX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea

1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea (PubChem CID 72719654) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
PubChem CID72719654
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
SMILESCCCCOc1ccc(NC(=O)Nc2cnn(C3CCOC3)c2)cc1
InChIInChI=1S/C18H24N4O3/c1-2-3-9-25-17-6-4-14(5-7-17)20-18(23)21-15-11-19-22(12-15)16-8-10-24-13-16/h4-7,11-12,16H,2-3,8-10,13H2,1H3,(H2,20,21,23)
InChIKeyIBGCDMQNVLNHIX-UHFFFAOYSA-N
XLogP3.67
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
CID 97428228
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
CID 97428277
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 99903598

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea (CID 72719654) is 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea is CCCCOc1ccc(NC(=O)Nc2cnn(C3CCOC3)c2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
The InChIKey is IBGCDMQNVLNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-3-9-25-17-6-4-14(5-7-17)20-18(23)21-15-11-19-22(12-15)16-8-10-24-13-16/h4-7,11-12,16H,2-3,8-10,13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea?
1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 72719654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).