1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea

C21H20N4O2 — CID 112838345

IUPAC1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCc1c(C(C)NC(=O)Nc2ccc(-n3cccn3)cc2)oc2ccccc12
InChIInChI=1S/C21H20N4O2/c1-14-18-6-3-4-7-19(18)27-20(14)15(2)23-21(26)24-16-8-10-17(11-9-16)25-13-5-12-22-25/h3-13,15H,1-2H3,(H2,23,24,26)
InChIKeyBSAKTZDMJJSZLV-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.81
Rot. Bonds4

About 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea

1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea (PubChem CID 112838345) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
PubChem CID112838345
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCc1c(C(C)NC(=O)Nc2ccc(-n3cccn3)cc2)oc2ccccc12
InChIInChI=1S/C21H20N4O2/c1-14-18-6-3-4-7-19(18)27-20(14)15(2)23-21(26)24-16-8-10-17(11-9-16)25-13-5-12-22-25/h3-13,15H,1-2H3,(H2,23,24,26)
InChIKeyBSAKTZDMJJSZLV-UHFFFAOYSA-N
XLogP4.81
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)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-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 166532876
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 166532279
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 167238820
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-oxo-2,3-dihydroisoindol-5-yl)urea
CID 166428389
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[4-(5-oxopyrrolidin-2-yl)phenyl]urea
CID 166532452
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
CID 166280594
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55808093
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
1-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 166532501
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methylspiro[1,3-benzoxazole-2,2'-oxirane]-6-yl)urea;molecular hydrogen
CID 166532607
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166350441

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea (CID 112838345) is 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea is Cc1c(C(C)NC(=O)Nc2ccc(-n3cccn3)cc2)oc2ccccc12.
What is the InChIKey of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea?
The InChIKey is BSAKTZDMJJSZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-18-6-3-4-7-19(18)27-20(14)15(2)23-21(26)24-16-8-10-17(11-9-16)25-13-5-12-22-25/h3-13,15H,1-2H3,(H2,23,24,26).
What are the key properties of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea?
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea has a molecular weight of 360.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 112838345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).