N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C23H24Cl2N4O2 — CID 139434958

IUPACN-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1n[nH]c(Cl)c1Cl)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C23H24Cl2N4O2/c24-20-21(27-28-22(20)25)18-6-2-3-7-19(18)26-23(30)16-8-10-17(11-9-16)31-15-14-29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-15H2,(H,26,30)(H,27,28)
InChIKeyUFAWJUIDVLPCPI-UHFFFAOYSA-N
MW459.38 g/mol
LogP5.50
Rot. Bonds7

About N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 139434958) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID139434958
Molecular FormulaC23H24Cl2N4O2
Molecular Weight459.38 g/mol
Exact Mass458.13
IUPAC NameN-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESO=C(Nc1ccccc1-c1n[nH]c(Cl)c1Cl)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C23H24Cl2N4O2/c24-20-21(27-28-22(20)25)18-6-2-3-7-19(18)26-23(30)16-8-10-17(11-9-16)31-15-14-29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-15H2,(H,26,30)(H,27,28)
InChIKeyUFAWJUIDVLPCPI-UHFFFAOYSA-N
XLogP5.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434976
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434941
N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
4-(2-piperidin-1-ylethoxy)-N-[2-(thian-3-yl)phenyl]benzamide
CID 159304007
N-[2-amino-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]phenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 70206920
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[2-(4-benzylpiperazin-1-yl)ethoxy]benzohydrazide
CID 18526260

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 139434958) is N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is O=C(Nc1ccccc1-c1n[nH]c(Cl)c1Cl)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is UFAWJUIDVLPCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c24-20-21(27-28-22(20)25)18-6-2-3-7-19(18)26-23(30)16-8-10-17(11-9-16)31-15-14-29-12-4-1-5-13-29/h2-3,6-11H,1,4-5,12-15H2,(H,26,30)(H,27,28).
What are the key properties of N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 459.38 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 139434958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).