1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea

C20H21FN6O — CID 175645470

IUPAC1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1F)NC1CCC(n2cc(-c3ccncn3)cn2)CC1
InChIInChI=1S/C20H21FN6O/c21-17-3-1-2-4-19(17)26-20(28)25-15-5-7-16(8-6-15)27-12-14(11-24-27)18-9-10-22-13-23-18/h1-4,9-13,15-16H,5-8H2,(H2,25,26,28)
InChIKeyXENJILSBQVCRJA-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.78
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea

1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea (PubChem CID 175645470) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea
PubChem CID175645470
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea
SMILESO=C(Nc1ccccc1F)NC1CCC(n2cc(-c3ccncn3)cn2)CC1
InChIInChI=1S/C20H21FN6O/c21-17-3-1-2-4-19(17)26-20(28)25-15-5-7-16(8-6-15)27-12-14(11-24-27)18-9-10-22-13-23-18/h1-4,9-13,15-16H,5-8H2,(H2,25,26,28)
InChIKeyXENJILSBQVCRJA-UHFFFAOYSA-N
XLogP3.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175642742
2-(2-chloro-4-fluorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175645939
methyl 4-[[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]carbamoyl]benzoate
CID 176506804
5-methyl-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]thiophene-2-carboxamide
CID 175644648
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-(2-fluorophenyl)urea
CID 143575034
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 176507080
N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 175645395
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
2-(dimethylamino)-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175644408
1-(2-fluorophenyl)-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]urea
CID 97428185
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea (CID 175645470) is 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea is O=C(Nc1ccccc1F)NC1CCC(n2cc(-c3ccncn3)cn2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea?
The InChIKey is XENJILSBQVCRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-17-3-1-2-4-19(17)26-20(28)25-15-5-7-16(8-6-15)27-12-14(11-24-27)18-9-10-22-13-23-18/h1-4,9-13,15-16H,5-8H2,(H2,25,26,28).
What are the key properties of 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea?
1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea has a molecular weight of 380.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]urea is sourced from PubChem (CID 175645470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).