N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide

C19H19ClN6O2 — CID 163228078

IUPACN-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide
SMILESC=Cc1nc(-c2cc(NC(=O)c3ccc(NCCO)c(Cl)c3)n[nH]2)[nH]c1C=C
InChIInChI=1S/C19H19ClN6O2/c1-3-13-14(4-2)23-18(22-13)16-10-17(26-25-16)24-19(28)11-5-6-15(12(20)9-11)21-7-8-27/h3-6,9-10,21,27H,1-2,7-8H2,(H,22,23)(H2,24,25,26,28)
InChIKeyBQRCKEXROAFRHH-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.40
Rot. Bonds8

About N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide

N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide (PubChem CID 163228078) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide.

Molecular Properties

Compound NameN-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide
PubChem CID163228078
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide
SMILESC=Cc1nc(-c2cc(NC(=O)c3ccc(NCCO)c(Cl)c3)n[nH]2)[nH]c1C=C
InChIInChI=1S/C19H19ClN6O2/c1-3-13-14(4-2)23-18(22-13)16-10-17(26-25-16)24-19(28)11-5-6-15(12(20)9-11)21-7-8-27/h3-6,9-10,21,27H,1-2,7-8H2,(H,22,23)(H2,24,25,26,28)
InChIKeyBQRCKEXROAFRHH-UHFFFAOYSA-N
XLogP3.40
TPSA118.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
CID 155161295
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528240
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 163227921

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide?
The IUPAC name of N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide (CID 163228078) is N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide.
What is the SMILES notation for N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide?
The canonical SMILES for N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide is C=Cc1nc(-c2cc(NC(=O)c3ccc(NCCO)c(Cl)c3)n[nH]2)[nH]c1C=C.
What is the InChIKey of N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide?
The InChIKey is BQRCKEXROAFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-3-13-14(4-2)23-18(22-13)16-10-17(26-25-16)24-19(28)11-5-6-15(12(20)9-11)21-7-8-27/h3-6,9-10,21,27H,1-2,7-8H2,(H,22,23)(H2,24,25,26,28).
What are the key properties of N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide?
N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide has a molecular weight of 398.85 g/mol, XLogP of 3.40, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4,5-bis(ethenyl)-1H-imidazol-2-yl]-1H-pyrazol-3-yl]-3-chloro-4-(2-hydroxyethylamino)benzamide is sourced from PubChem (CID 163228078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).