N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H13N5O4S — CID 19509260

IUPACN-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H13N5O4S/c25-19(17-10-16(22-23-17)18-4-2-6-29-18)21-12-7-13(24(26)27)9-15(8-12)28-14-3-1-5-20-11-14/h1-11H,(H,21,25)(H,22,23)
InChIKeyJZKFQSTVFFCJJO-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.49
Rot. Bonds6

About N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 19509260) has the molecular formula C19H13N5O4S and a molecular weight of 407.41 g/mol. Its IUPAC name is N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID19509260
Molecular FormulaC19H13N5O4S
Molecular Weight407.41 g/mol
Exact Mass407.07
IUPAC NameN-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H13N5O4S/c25-19(17-10-16(22-23-17)18-4-2-6-29-18)21-12-7-13(24(26)27)9-15(8-12)28-14-3-1-5-20-11-14/h1-11H,(H,21,25)(H,22,23)
InChIKeyJZKFQSTVFFCJJO-UHFFFAOYSA-N
XLogP4.49
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
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

N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509161
N-(3-nitro-5-phenoxyphenyl)pyridine-4-carboxamide
CID 4223458
1-[(4-methoxyphenoxy)methyl]-N-(3-nitro-5-pyridin-3-yloxyphenyl)pyrazole-3-carboxamide
CID 19273282
N-(3-nitro-5-pyridin-3-yloxyphenyl)adamantane-1-carboxamide
CID 4684686
5-nitro-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-3-carboxamide
CID 135803268
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
2-(2-methylphenoxy)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
CID 1240406
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453667
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508210
1-chloro-3-(3-nitro-5-pyridin-3-yloxyanilino)propan-2-ol
CID 168638117
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416737
4-bromo-1-methyl-N-(3-nitro-5-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481151

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 19509260) is N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JZKFQSTVFFCJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O4S/c25-19(17-10-16(22-23-17)18-4-2-6-29-18)21-12-7-13(24(26)27)9-15(8-12)28-14-3-1-5-20-11-14/h1-11H,(H,21,25)(H,22,23).
What are the key properties of N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-5-pyridin-3-yloxyphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19509260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).