phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate

C22H15ClF2N4O2 — CID 42684864

IUPACphenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
SMILESNc1c(NC(=O)Oc2ccccc2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F
InChIInChI=1S/C22H15ClF2N4O2/c23-14-8-6-13(7-9-14)19-20(27-22(30)31-16-4-2-1-3-5-16)21(26)29(28-19)18-12-15(24)10-11-17(18)25/h1-12H,26H2,(H,27,30)
InChIKeyDBCZKHRVCVNSAT-UHFFFAOYSA-N
MW440.84 g/mol
LogP5.66
Rot. Bonds4

About phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate

phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate (PubChem CID 42684864) has the molecular formula C22H15ClF2N4O2 and a molecular weight of 440.84 g/mol. Its IUPAC name is phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
PubChem CID42684864
Molecular FormulaC22H15ClF2N4O2
Molecular Weight440.84 g/mol
Exact Mass440.09
IUPAC Namephenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
SMILESNc1c(NC(=O)Oc2ccccc2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F
InChIInChI=1S/C22H15ClF2N4O2/c23-14-8-6-13(7-9-14)19-20(27-22(30)31-16-4-2-1-3-5-16)21(26)29(28-19)18-12-15(24)10-11-17(18)25/h1-12H,26H2,(H,27,30)
InChIKeyDBCZKHRVCVNSAT-UHFFFAOYSA-N
XLogP5.66
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.84
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]carbamate
CID 42684862
1-[5-amino-1-(2,5-difluorophenyl)-3-phenylpyrazol-4-yl]-3-[3-(dimethylamino)propyl]urea
CID 42873167
N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
CID 42685121
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685093
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea
CID 42873178
methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate
CID 10522966
phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
3-[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-benzyl-1-methylurea
CID 42685189
1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
CID 42684964
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
CID 82811858

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate?
The IUPAC name of phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate (CID 42684864) is phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate?
The canonical SMILES for phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate is Nc1c(NC(=O)Oc2ccccc2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F.
What is the InChIKey of phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate?
The InChIKey is DBCZKHRVCVNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N4O2/c23-14-8-6-13(7-9-14)19-20(27-22(30)31-16-4-2-1-3-5-16)21(26)29(28-19)18-12-15(24)10-11-17(18)25/h1-12H,26H2,(H,27,30).
What are the key properties of phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate?
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate has a molecular weight of 440.84 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 42684864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).