2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide

C16H12ClN5O3 — CID 31925933

IUPAC2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H12ClN5O3/c17-14-9-12(22(24)25)4-5-13(14)16(23)19-10-11-3-1-6-18-15(11)21-8-2-7-20-21/h1-9H,10H2,(H,19,23)
InChIKeyWCOGDSYTBMNXPE-UHFFFAOYSA-N
MW357.76 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide

2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 31925933) has the molecular formula C16H12ClN5O3 and a molecular weight of 357.76 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID31925933
Molecular FormulaC16H12ClN5O3
Molecular Weight357.76 g/mol
Exact Mass357.06
IUPAC Name2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H12ClN5O3/c17-14-9-12(22(24)25)4-5-13(14)16(23)19-10-11-3-1-6-18-15(11)21-8-2-7-20-21/h1-9H,10H2,(H,19,23)
InChIKeyWCOGDSYTBMNXPE-UHFFFAOYSA-N
XLogP2.76
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chloro-4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17486644
1-(3-nitrophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 38604575
2-chloro-N-[(2-hydroxyphenyl)methyl]-4-nitrobenzamide
CID 115598875
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
5-methoxy-4-(methoxymethoxy)-2-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 91648292
[2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073119
2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346153
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
2-chloro-4-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16613767
2-chloro-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 8836733
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide (CID 31925933) is 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-n1cccn1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is WCOGDSYTBMNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O3/c17-14-9-12(22(24)25)4-5-13(14)16(23)19-10-11-3-1-6-18-15(11)21-8-2-7-20-21/h1-9H,10H2,(H,19,23).
What are the key properties of 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 357.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 31925933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).