1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea

C14H20N4O2 — CID 146078308

IUPAC1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
SMILESCn1nccc1-c1ccc(CNC(=O)NC(C)(C)C)o1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)17-13(19)15-9-10-5-6-12(20-10)11-7-8-16-18(11)4/h5-8H,9H2,1-4H3,(H2,15,17,19)
InChIKeyVEAASQOFSQLUMI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds3

About 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea

1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea (PubChem CID 146078308) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
PubChem CID146078308
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea
SMILESCn1nccc1-c1ccc(CNC(=O)NC(C)(C)C)o1
InChIInChI=1S/C14H20N4O2/c1-14(2,3)17-13(19)15-9-10-5-6-12(20-10)11-7-8-16-18(11)4/h5-8H,9H2,1-4H3,(H2,15,17,19)
InChIKeyVEAASQOFSQLUMI-UHFFFAOYSA-N
XLogP2.28
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
2-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]acetamide
CID 146080754
1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
CID 110748926
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106887263
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]-2-phenoxypropanamide
CID 146080673
2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
CID 146080782
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
5-methyl-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]thiophene-2-sulfonamide
CID 146080734
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
3-chloro-4-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
CID 146080899

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea?
The IUPAC name of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea (CID 146078308) is 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea is Cn1nccc1-c1ccc(CNC(=O)NC(C)(C)C)o1.
What is the InChIKey of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea?
The InChIKey is VEAASQOFSQLUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)17-13(19)15-9-10-5-6-12(20-10)11-7-8-16-18(11)4/h5-8H,9H2,1-4H3,(H2,15,17,19).
What are the key properties of 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea?
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]urea is sourced from PubChem (CID 146078308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).