N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine

C17H13ClN6O2 — CID 51133889

IUPACN-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccn(Cc3cn4ccccc4n3)n2)c(Cl)c1
InChIInChI=1S/C17H13ClN6O2/c18-14-9-13(24(25)26)4-5-15(14)20-16-6-8-23(21-16)11-12-10-22-7-2-1-3-17(22)19-12/h1-10H,11H2,(H,20,21)
InChIKeyVBQQSBHCWZDPBQ-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.88
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine

N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine (PubChem CID 51133889) has the molecular formula C17H13ClN6O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine
PubChem CID51133889
Molecular FormulaC17H13ClN6O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC NameN-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccn(Cc3cn4ccccc4n3)n2)c(Cl)c1
InChIInChI=1S/C17H13ClN6O2/c18-14-9-13(24(25)26)4-5-15(14)20-16-6-8-23(21-16)11-12-10-22-7-2-1-3-17(22)19-12/h1-10H,11H2,(H,20,21)
InChIKeyVBQQSBHCWZDPBQ-UHFFFAOYSA-N
XLogP3.88
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
2-[(2-chloro-5-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 79489516
imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7983275
2-(dimethylamino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-nitrobenzamide
CID 9185042
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71915147
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22203608
1-tert-butyl-N-(2-chloro-4-nitrophenyl)pyrazol-4-amine
CID 47464178
2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
CID 104726088
4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
CID 17407046
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-nitrophenyl)acetamide
CID 121148862
N,2-dichloro-4-nitroaniline
CID 57242965
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine (CID 51133889) is N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine is O=[N+]([O-])c1ccc(Nc2ccn(Cc3cn4ccccc4n3)n2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine?
The InChIKey is VBQQSBHCWZDPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2/c18-14-9-13(24(25)26)4-5-15(14)20-16-6-8-23(21-16)11-12-10-22-7-2-1-3-17(22)19-12/h1-10H,11H2,(H,20,21).
What are the key properties of N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine?
N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine has a molecular weight of 368.78 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 51133889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).