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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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).