N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

C23H24ClN5O2 — CID 86970018

IUPACN-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-15(17-4-8-20(9-5-17)28-22(30)18-2-3-18)27-23(31)25-12-16-13-26-29(14-16)21-10-6-19(24)7-11-21/h4-11,13-15,18H,2-3,12H2,1H3,(H,28,30)(H2,25,27,31)
InChIKeyDYNXYPZTHPXFHO-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.43
Rot. Bonds7

About N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 86970018) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID86970018
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-15(17-4-8-20(9-5-17)28-22(30)18-2-3-18)27-23(31)25-12-16-13-26-29(14-16)21-10-6-19(24)7-11-21/h4-11,13-15,18H,2-3,12H2,1H3,(H,28,30)(H2,25,27,31)
InChIKeyDYNXYPZTHPXFHO-UHFFFAOYSA-N
XLogP4.43
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
N-[(1S)-1-[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]ethyl]cyclobutanecarboxamide
CID 166706387
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea
CID 86969996
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86970383
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383
N-[4-[1-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595169
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187
N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 47024872
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 86970018) is N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DYNXYPZTHPXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15(17-4-8-20(9-5-17)28-22(30)18-2-3-18)27-23(31)25-12-16-13-26-29(14-16)21-10-6-19(24)7-11-21/h4-11,13-15,18H,2-3,12H2,1H3,(H,28,30)(H2,25,27,31).
What are the key properties of N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 437.93 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 86970018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).