N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

C20H17ClFN3O2 — CID 56725277

IUPACN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C20H17ClFN3O2/c21-18-8-14(22)6-7-19(18)27-12-25-11-15(10-23-25)24-20(26)17-9-16(17)13-4-2-1-3-5-13/h1-8,10-11,16-17H,9,12H2,(H,24,26)
InChIKeyVYCVGVMSJZVOIO-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.45
Rot. Bonds6

About N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 56725277) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID56725277
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C20H17ClFN3O2/c21-18-8-14(22)6-7-19(18)27-12-25-11-15(10-23-25)24-20(26)17-9-16(17)13-4-2-1-3-5-13/h1-8,10-11,16-17H,9,12H2,(H,24,26)
InChIKeyVYCVGVMSJZVOIO-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19408858
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(2-chlorophenyl)urea
CID 35592335
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 19410558
1-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-cyclohexylurea
CID 39854205
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 39853967
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-(4-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19395537
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
2-(4-chlorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19346838
2-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 19401715

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (CID 56725277) is N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VYCVGVMSJZVOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-18-8-14(22)6-7-19(18)27-12-25-11-15(10-23-25)24-20(26)17-9-16(17)13-4-2-1-3-5-13/h1-8,10-11,16-17H,9,12H2,(H,24,26).
What are the key properties of N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 56725277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).