1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea

C18H20F2N4O — CID 22434485

IUPAC1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1nn(C)c(NC(=O)Nc2ccc(F)cc2F)c1C1=CCCCC1
InChIInChI=1S/C18H20F2N4O/c1-11-16(12-6-4-3-5-7-12)17(24(2)23-11)22-18(25)21-15-9-8-13(19)10-14(15)20/h6,8-10H,3-5,7H2,1-2H3,(H2,21,22,25)
InChIKeyMSXUFISMPNHLTN-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.61
Rot. Bonds3

About 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea

1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 22434485) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea
PubChem CID22434485
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1nn(C)c(NC(=O)Nc2ccc(F)cc2F)c1C1=CCCCC1
InChIInChI=1S/C18H20F2N4O/c1-11-16(12-6-4-3-5-7-12)17(24(2)23-11)22-18(25)21-15-9-8-13(19)10-14(15)20/h6,8-10H,3-5,7H2,1-2H3,(H2,21,22,25)
InChIKeyMSXUFISMPNHLTN-UHFFFAOYSA-N
XLogP4.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea with MolForge

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Related Compounds

ML297
CID 56642816
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
1-[4-(4-Bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)urea
CID 2810116
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
N-[3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl]-N'-(3-chloro-2-methylphenyl)urea
CID 2811755
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea (CID 22434485) is 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea is Cc1nn(C)c(NC(=O)Nc2ccc(F)cc2F)c1C1=CCCCC1.
What is the InChIKey of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is MSXUFISMPNHLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-11-16(12-6-4-3-5-7-12)17(24(2)23-11)22-18(25)21-15-9-8-13(19)10-14(15)20/h6,8-10H,3-5,7H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea?
1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 346.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 22434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).