2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

C17H14ClN5O4 — CID 19521162

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C17H14ClN5O4/c1-11-16(18)9-22(21-11)10-17(24)20-12-5-13(23(25)26)7-15(6-12)27-14-3-2-4-19-8-14/h2-9H,10H2,1H3,(H,20,24)
InChIKeyGMWVXCDNFACMGL-UHFFFAOYSA-N
MW387.78 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (PubChem CID 19521162) has the molecular formula C17H14ClN5O4 and a molecular weight of 387.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
PubChem CID19521162
Molecular FormulaC17H14ClN5O4
Molecular Weight387.78 g/mol
Exact Mass387.07
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C17H14ClN5O4/c1-11-16(18)9-22(21-11)10-17(24)20-12-5-13(23(25)26)7-15(6-12)27-14-3-2-4-19-8-14/h2-9H,10H2,1H3,(H,20,24)
InChIKeyGMWVXCDNFACMGL-UHFFFAOYSA-N
XLogP3.58
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.78
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (CID 19521162) is 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is Cc1nn(CC(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is GMWVXCDNFACMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O4/c1-11-16(18)9-22(21-11)10-17(24)20-12-5-13(23(25)26)7-15(6-12)27-14-3-2-4-19-8-14/h2-9H,10H2,1H3,(H,20,24).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 387.78 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 19521162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).