N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide

C18H18ClN5O — CID 57263599

IUPACN-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1[nH]ncc1Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H18ClN5O/c19-14-7-4-8-15(11-14)23-16-12-22-24-17(16)20-9-10-21-18(25)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,21,25)(H2,20,22,24)
InChIKeyFQEUFJVZOHWWHX-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide

N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide (PubChem CID 57263599) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
PubChem CID57263599
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1[nH]ncc1Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H18ClN5O/c19-14-7-4-8-15(11-14)23-16-12-22-24-17(16)20-9-10-21-18(25)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,21,25)(H2,20,22,24)
InChIKeyFQEUFJVZOHWWHX-UHFFFAOYSA-N
XLogP3.65
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
CID 57071330
[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]piperazin-1-yl]-phenylmethanone
CID 57166665
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
CID 57166762
4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
CID 57295767
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
N-[3-(3-chloroanilino)-3-phenylpropyl]benzamide
CID 20504940
ethyl N-[(2S)-1-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56987114
3-chloro-N-[2-(3-propylanilino)ethyl]benzamide
CID 118156784

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide (CID 57263599) is N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide is O=C(NCCNc1[nH]ncc1Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide?
The InChIKey is FQEUFJVZOHWWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-7-4-8-15(11-14)23-16-12-22-24-17(16)20-9-10-21-18(25)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,21,25)(H2,20,22,24).
What are the key properties of N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide?
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide is sourced from PubChem (CID 57263599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).