1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea

C17H20ClFN4O2 — CID 39854205

IUPAC1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
SMILESO=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)NC1CCCCC1
InChIInChI=1S/C17H20ClFN4O2/c18-15-8-12(19)6-7-16(15)25-11-23-10-14(9-20-23)22-17(24)21-13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H2,21,22,24)
InChIKeySTAAINSUZDJSTM-UHFFFAOYSA-N
MW366.82 g/mol
LogP4.17
Rot. Bonds5

About 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea

1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea (PubChem CID 39854205) has the molecular formula C17H20ClFN4O2 and a molecular weight of 366.82 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
PubChem CID39854205
Molecular FormulaC17H20ClFN4O2
Molecular Weight366.82 g/mol
Exact Mass366.13
IUPAC Name1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
SMILESO=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)NC1CCCCC1
InChIInChI=1S/C17H20ClFN4O2/c18-15-8-12(19)6-7-16(15)25-11-23-10-14(9-20-23)22-17(24)21-13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H2,21,22,24)
InChIKeySTAAINSUZDJSTM-UHFFFAOYSA-N
XLogP4.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(2-chlorophenyl)urea
CID 35592335
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 56725277
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
CID 35592061
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 39853967
1-cyclohexyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]urea
CID 19449764
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19496000
2-(2-chloro-4-fluorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]acetamide
CID 49088411
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19276862
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19408792
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea?
The IUPAC name of 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea (CID 39854205) is 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea is O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)NC1CCCCC1.
What is the InChIKey of 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea?
The InChIKey is STAAINSUZDJSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O2/c18-15-8-12(19)6-7-16(15)25-11-23-10-14(9-20-23)22-17(24)21-13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H2,21,22,24).
What are the key properties of 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea?
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea has a molecular weight of 366.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea is sourced from PubChem (CID 39854205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).