2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C14H19N5O — CID 80686591

IUPAC2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cnn(C)c2)c(NN)c1
InChIInChI=1S/C14H19N5O/c1-10-3-4-12(13(7-10)18-15)14(20)16-6-5-11-8-17-19(2)9-11/h3-4,7-9,18H,5-6,15H2,1-2H3,(H,16,20)
InChIKeyVWQGUTSTPBYOGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.99
Rot. Bonds5

About 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 80686591) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID80686591
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cnn(C)c2)c(NN)c1
InChIInChI=1S/C14H19N5O/c1-10-3-4-12(13(7-10)18-15)14(20)16-6-5-11-8-17-19(2)9-11/h3-4,7-9,18H,5-6,15H2,1-2H3,(H,16,20)
InChIKeyVWQGUTSTPBYOGB-UHFFFAOYSA-N
XLogP0.99
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685934
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 105070790
5-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 113436378
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
5-chloro-6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 80686009
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80681461
2-hydroxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375361
5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 80686591) is 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2cnn(C)c2)c(NN)c1.
What is the InChIKey of 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is VWQGUTSTPBYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-3-4-12(13(7-10)18-15)14(20)16-6-5-11-8-17-19(2)9-11/h3-4,7-9,18H,5-6,15H2,1-2H3,(H,16,20).
What are the key properties of 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 80686591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).