1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea

C15H18ClFN4O — CID 71967374

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea
SMILESCc1n[nH]c(C)c1CNC(=O)N(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN4O/c1-9-12(10(2)20-19-9)7-18-15(22)21(3)8-11-4-5-13(16)14(17)6-11/h4-6H,7-8H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyJOIMQXGDQKUOQM-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.16
Rot. Bonds4

About 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea

1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea (PubChem CID 71967374) has the molecular formula C15H18ClFN4O and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea
PubChem CID71967374
Molecular FormulaC15H18ClFN4O
Molecular Weight324.79 g/mol
Exact Mass324.12
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea
SMILESCc1n[nH]c(C)c1CNC(=O)N(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN4O/c1-9-12(10(2)20-19-9)7-18-15(22)21(3)8-11-4-5-13(16)14(17)6-11/h4-6H,7-8H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyJOIMQXGDQKUOQM-UHFFFAOYSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea with MolForge

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropanamide
CID 84594780
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-1-[(3-methylsulfanylphenyl)methyl]urea
CID 119065447
1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 9266283
1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 97328960
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylcarbamoyl-methylamino]-N-methylacetamide
CID 119059483
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(2R)-1-methylsulfonylpropan-2-yl]urea
CID 97248897
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
N-[(2,5-dichlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654750
1,3-bis[[2-(4-chloro-3-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methyl]-1-methylurea
CID 169041694
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
4-[[(4-chloro-3-fluorophenyl)methyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023644

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea (CID 71967374) is 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea is Cc1n[nH]c(C)c1CNC(=O)N(C)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea?
The InChIKey is JOIMQXGDQKUOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O/c1-9-12(10(2)20-19-9)7-18-15(22)21(3)8-11-4-5-13(16)14(17)6-11/h4-6H,7-8H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea?
1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea has a molecular weight of 324.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 71967374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).