1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C18H22F2N4O2 — CID 72910145

IUPAC1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C18H22F2N4O2/c1-11-16(12(2)23(3)22-11)10-24(14-6-7-14)18(25)21-13-4-8-15(9-5-13)26-17(19)20/h4-5,8-9,14,17H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyYRXCYQJXBMUDRP-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.83
Rot. Bonds6

About 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 72910145) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID72910145
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CC1
InChIInChI=1S/C18H22F2N4O2/c1-11-16(12(2)23(3)22-11)10-24(14-6-7-14)18(25)21-13-4-8-15(9-5-13)26-17(19)20/h4-5,8-9,14,17H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyYRXCYQJXBMUDRP-UHFFFAOYSA-N
XLogP3.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 51597958
N-[4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436848
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
1-cyclopropyl-3-[(3S)-3-morpholin-4-ylbutyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 125438066
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18207459
3-[(4-butan-2-yloxyphenyl)methyl]-1-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122559530
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126445216
N-[4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 7941086

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 72910145) is 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is YRXCYQJXBMUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-11-16(12(2)23(3)22-11)10-24(14-6-7-14)18(25)21-13-4-8-15(9-5-13)26-17(19)20/h4-5,8-9,14,17H,6-7,10H2,1-3H3,(H,21,25).
What are the key properties of 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 364.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 72910145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).