N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide

C24H20Cl2N6O2 — CID 118497050

IUPACN-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESNCCNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H20Cl2N6O2/c25-18-13-19(26)17(12-16(18)20-8-4-5-10-28-20)23(33)30-22-14-21(24(34)29-11-9-27)31-32(22)15-6-2-1-3-7-15/h1-8,10,12-14H,9,11,27H2,(H,29,34)(H,30,33)
InChIKeyOCIDSJUTXLBBDL-UHFFFAOYSA-N
MW495.37 g/mol
LogP4.18
Rot. Bonds7

About N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide

N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118497050) has the molecular formula C24H20Cl2N6O2 and a molecular weight of 495.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118497050
Molecular FormulaC24H20Cl2N6O2
Molecular Weight495.37 g/mol
Exact Mass494.10
IUPAC NameN-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESNCCNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C24H20Cl2N6O2/c25-18-13-19(26)17(12-16(18)20-8-4-5-10-28-20)23(33)30-22-14-21(24(34)29-11-9-27)31-32(22)15-6-2-1-3-7-15/h1-8,10,12-14H,9,11,27H2,(H,29,34)(H,30,33)
InChIKeyOCIDSJUTXLBBDL-UHFFFAOYSA-N
XLogP4.18
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-((2-chlorobenzoyl)amino)-1-phenyl-N-(2-(1-(4-pyridinyl)-4-piperidinyl)ethyl)-1H-pyrazole-3-carboxamide
CID 23630919
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497137
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(2-methylpyrazol-3-yl)acetamide
CID 57396206
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetamide
CID 46226231
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyrimidin-2-yl)piperidine-1-carbonyl)-1H-pyrazol-4-yl)acetimidamide
CID 46226232
[2-Chloro-4-(5-methylpyrazol-1-yl)phenyl]-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 9801970
[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9888109
[2-Chloro-4-(1-methyl-1H-pyrazol-3-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9931699
1-(3-chloro-2-pyridinyl)-N-[2-methyl-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10298587
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[2-(4-pyridinyl)ethyl]-1H-pyrazole-3-carboxamide
CID 11224694
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (CID 118497050) is N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is NCCNC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is OCIDSJUTXLBBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O2/c25-18-13-19(26)17(12-16(18)20-8-4-5-10-28-20)23(33)30-22-14-21(24(34)29-11-9-27)31-32(22)15-6-2-1-3-7-15/h1-8,10,12-14H,9,11,27H2,(H,29,34)(H,30,33).
What are the key properties of N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 495.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).