1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C21H23FN4O — CID 55931117

IUPAC1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H23FN4O/c1-16(19-7-9-20(22)10-8-19)25(2)21(27)23-14-17-5-3-6-18(13-17)15-26-12-4-11-24-26/h3-13,16H,14-15H2,1-2H3,(H,23,27)
InChIKeyGGMXYSXKTDGMTF-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.97
Rot. Bonds6

About 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55931117) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55931117
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCC(c1ccc(F)cc1)N(C)C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H23FN4O/c1-16(19-7-9-20(22)10-8-19)25(2)21(27)23-14-17-5-3-6-18(13-17)15-26-12-4-11-24-26/h3-13,16H,14-15H2,1-2H3,(H,23,27)
InChIKeyGGMXYSXKTDGMTF-UHFFFAOYSA-N
XLogP3.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]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

N-[3-[[[1-(4-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 56814248
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 87037661
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119301023
3-[(4-fluorophenyl)methyl]-1-methyl-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 51325866
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
N-[2-(4-fluorophenyl)ethyl]-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629850
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
1-[(4-fluorophenyl)-phenylmethyl]-1-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890454
1-[(4-fluorophenyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea
CID 970237
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 55931117) is 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is CC(c1ccc(F)cc1)N(C)C(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is GGMXYSXKTDGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-16(19-7-9-20(22)10-8-19)25(2)21(27)23-14-17-5-3-6-18(13-17)15-26-12-4-11-24-26/h3-13,16H,14-15H2,1-2H3,(H,23,27).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 366.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55931117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).