N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide

C24H29N5O2 — CID 53320223

IUPACN-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCOCCNC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1
InChIInChI=1S/C24H29N5O2/c1-28-11-13-29(14-12-28)21-8-6-18(7-9-21)22-17-23(27-26-22)19-4-3-5-20(16-19)24(30)25-10-15-31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyNBYFIQFHIVEFKV-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.87
Rot. Bonds7

About N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide

N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 53320223) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID53320223
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCOCCNC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1
InChIInChI=1S/C24H29N5O2/c1-28-11-13-29(14-12-28)21-8-6-18(7-9-21)22-17-23(27-26-22)19-4-3-5-20(16-19)24(30)25-10-15-31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyNBYFIQFHIVEFKV-UHFFFAOYSA-N
XLogP2.87
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
CID 71680628
4-(5-methylpyrazol-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9266746
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
(R)-N-(1-cyanoethyl)-3-(5-(4-((isopropylamino)methyl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 51346849
N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
CID 53317611
3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)-N-isopropylbenzamide
CID 53320215
3-(5-(3-bromo-4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)-N-(cyanomethyl)benzamide
CID 53321599
N-isopropyl-3-(5-(6-(4-methylpiperazin-1-yl)biphenyl-3-yl)-1H-pyrazol-3-yl)benzamide
CID 53322863
3-[5-(4-cyclopropylaminomethylphenyl)-1H-pyrazol-3-yl]-N-isopropylbenzamide
CID 53324184
N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53324194
N-(2-cyanoethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
CID 53326662

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide (CID 53320223) is N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide is COCCNC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)cc3)[nH]n2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is NBYFIQFHIVEFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-28-11-13-29(14-12-28)21-8-6-18(7-9-21)22-17-23(27-26-22)19-4-3-5-20(16-19)24(30)25-10-15-31-2/h3-9,16-17H,10-15H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide?
N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 53320223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).